Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-11 12:14:31 UTC |
---|
Updated at | 2022-09-11 12:14:31 UTC |
---|
NP-MRD ID | NP0314240 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | {[(5z)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(3-methylbutyl)amine |
---|
Description | {[(5z)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(3-methylbutyl)amine is found in Tambja ceutae. |
---|
Structure | COC1=CC(=N\C1=C/NCCC(C)C)C1=CC=CN1 InChI=1S/C15H21N3O/c1-11(2)6-8-16-10-14-15(19-3)9-13(18-14)12-5-4-7-17-12/h4-5,7,9-11,16-17H,6,8H2,1-3H3/b14-10- |
---|
Synonyms | Not Available |
---|
Chemical Formula | C15H21N3O |
---|
Average Mass | 259.3530 Da |
---|
Monoisotopic Mass | 259.16846 Da |
---|
IUPAC Name | {[(5Z)-4-methoxy-1'H,5H-[2,2'-bipyrrole]-5-ylidene]methyl}(3-methylbutyl)amine |
---|
Traditional Name | {[(5Z)-4-methoxy-1'H-[2,2'-bipyrrole]-5-ylidene]methyl}(3-methylbutyl)amine |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(=N\C1=C/NCCC(C)C)C1=CC=CN1 |
---|
InChI Identifier | InChI=1S/C15H21N3O/c1-11(2)6-8-16-10-14-15(19-3)9-13(18-14)12-5-4-7-17-12/h4-5,7,9-11,16-17H,6,8H2,1-3H3/b14-10- |
---|
InChI Key | OTWGLVDGDXPWNV-UVTDQMKNSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Classification | Not classified |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|