ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine

C31H59N — CID 143983035

IUPACethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine
SMILESC/C=C(\C=C(/CC)CC/C(C)=C(CCCCCC)/N=C/C)CCC(CCC)CCC.CC
InChIInChI=1S/C29H53N.C2H6/c1-8-14-15-16-19-29(30-13-6)25(7)20-21-26(11-4)24-27(12-5)22-23-28(17-9-2)18-10-3;1-2/h12-13,24,28H,8-11,14-23H2,1-7H3;1-2H3/b26-24+,27-12-,29-25+,30-13+;
InChIKeyZUMQRCQSISYMNJ-HRYFHMMYSA-N
MW445.82 g/mol
LogP11.41
Rot. Bonds18

About ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine

ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine (PubChem CID 143983035) has the molecular formula C31H59N and a molecular weight of 445.82 g/mol. Its IUPAC name is ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine
PubChem CID143983035
Molecular FormulaC31H59N
Molecular Weight445.82 g/mol
Exact Mass445.46
IUPAC Nameethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine
SMILESC/C=C(\C=C(/CC)CC/C(C)=C(CCCCCC)/N=C/C)CCC(CCC)CCC.CC
InChIInChI=1S/C29H53N.C2H6/c1-8-14-15-16-19-29(30-13-6)25(7)20-21-26(11-4)24-27(12-5)22-23-28(17-9-2)18-10-3;1-2/h12-13,24,28H,8-11,14-23H2,1-7H3;1-2H3/b26-24+,27-12-,29-25+,30-13+;
InChIKeyZUMQRCQSISYMNJ-HRYFHMMYSA-N
XLogP11.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.82
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E,4R)-2-fluoro-4-[(1S)-2-(2-fluoropropyl)cyclohepta-2,4-dien-1-yl]pent-2-en-3-yl]ethanimine
CID 168197131
4-(2-Propylpent-4-enyl)cyclopenta[b]pyrrole
CID 70164061
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
3-methyl-2-(3-methylheptyl)-4H-azepine
CID 90756270
2-[5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hex-5-enyl]-2H-azirine
CID 91307077
N-[(1Z)-2-[(Z)-prop-1-enyl]cyclononen-1-yl]ethanimine
CID 117883584
(6S)-6-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-2-methylidene-4,5,6,7,8,9-hexahydro-3H-azecine
CID 121313684
5-(6-methylheptyl)-7-(2-methylpropyl)-4,5-dihydro-3H-azepine
CID 123238353
4-[(4Z)-5-(2,6-dimethyl-3-propan-2-ylcyclohexen-1-yl)penta-1,2,4-trien-3-yl]-7-methyl-10-propan-2-yl-5,6,7,8,9,10-hexahydro-1-benzazocine
CID 123304110
6-methyl-6,7,8,9-tetrahydro-3H-1-benzazepine
CID 123432048
N-(9-ethyl-3,6-dimethyltrideca-3,5-dien-2-yl)ethanimine
CID 123493449

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine?
The IUPAC name of ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine (CID 143983035) is ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine.
What is the SMILES notation for ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine?
The canonical SMILES for ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine is C/C=C(\C=C(/CC)CC/C(C)=C(CCCCCC)/N=C/C)CCC(CCC)CCC.CC.
What is the InChIKey of ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine?
The InChIKey is ZUMQRCQSISYMNJ-HRYFHMMYSA-N. The full InChI is InChI=1S/C29H53N.C2H6/c1-8-14-15-16-19-29(30-13-6)25(7)20-21-26(11-4)24-27(12-5)22-23-28(17-9-2)18-10-3;1-2/h12-13,24,28H,8-11,14-23H2,1-7H3;1-2H3/b26-24+,27-12-,29-25+,30-13+;.
What are the key properties of ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine?
ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine has a molecular weight of 445.82 g/mol, XLogP of 11.41, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(7E,11E,13Z)-11-ethyl-13-ethylidene-8-methyl-16-propylnonadeca-7,11-dien-7-yl]ethanimine is sourced from PubChem (CID 143983035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).