3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine

C22H41NO — CID 90836098

IUPAC3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine
SMILESCCCCC=CCC=CCC=CCCCCC(C)(CCNC)OC
InChIInChI=1S/C22H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,24-4)20-21-23-3/h8-9,11-12,14-15,23H,5-7,10,13,16-21H2,1-4H3
InChIKeyHFTSDHJBNDGJSQ-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.20
Rot. Bonds16

About 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine

3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine (PubChem CID 90836098) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine
PubChem CID90836098
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine
SMILESCCCCC=CCC=CCC=CCCCCC(C)(CCNC)OC
InChIInChI=1S/C22H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,24-4)20-21-23-3/h8-9,11-12,14-15,23H,5-7,10,13,16-21H2,1-4H3
InChIKeyHFTSDHJBNDGJSQ-UHFFFAOYSA-N
XLogP6.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 118478379
3-[(E)-3,3,5,5,6,6-hexamethylnon-7-enoxy]-N,3-dimethylbutan-1-amine
CID 130316412
(6Z,9Z,28Z,31Z)-19-[4-(methylamino)butyl]heptatriaconta-6,9,28,31-tetraen-19-ol
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N,3-dimethyl-4-[(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraen-19-yl]oxybutan-1-amine
CID 134388259
N-methyl-3-[[(Z)-octadec-9-enoxy]methyl]tridecan-1-amine
CID 170097284
(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine
CID 170265770
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103036050
1-(1-methoxycyclobutyl)-N-methylhex-5-en-2-amine
CID 103559407
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine (CID 90836098) is 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine is CCCCC=CCC=CCC=CCCCCC(C)(CCNC)OC.
What is the InChIKey of 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine?
The InChIKey is HFTSDHJBNDGJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,24-4)20-21-23-3/h8-9,11-12,14-15,23H,5-7,10,13,16-21H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine?
3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine has a molecular weight of 335.58 g/mol, XLogP of 6.20, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine is sourced from PubChem (CID 90836098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).