5-methyl-N-octadec-9-enylhexan-2-imine

C25H49N — CID 54431641

IUPAC5-methyl-N-octadec-9-enylhexan-2-imine
SMILESCCCCCCCCC=CCCCCCCCC/N=C(\C)CCC(C)C
InChIInChI=1S/C25H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-25(4)22-21-24(2)3/h12-13,24H,5-11,14-23H2,1-4H3/b13-12?,26-25+
InChIKeyWHWOGTLOSCHPDD-AKIZOYNWSA-N
MW363.67 g/mol
LogP8.92
Rot. Bonds19

About 5-methyl-N-octadec-9-enylhexan-2-imine

5-methyl-N-octadec-9-enylhexan-2-imine (PubChem CID 54431641) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is 5-methyl-N-octadec-9-enylhexan-2-imine.

Molecular Properties

Compound Name5-methyl-N-octadec-9-enylhexan-2-imine
PubChem CID54431641
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name5-methyl-N-octadec-9-enylhexan-2-imine
SMILESCCCCCCCCC=CCCCCCCCC/N=C(\C)CCC(C)C
InChIInChI=1S/C25H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-25(4)22-21-24(2)3/h12-13,24H,5-11,14-23H2,1-4H3/b13-12?,26-25+
InChIKeyWHWOGTLOSCHPDD-AKIZOYNWSA-N
XLogP8.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 58.92
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Lanopylin B1
CID 10087332
Lanopylin A1
CID 9883534
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin B2
CID 11279421
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-octadec-9-enylhexan-2-imine?
The IUPAC name of 5-methyl-N-octadec-9-enylhexan-2-imine (CID 54431641) is 5-methyl-N-octadec-9-enylhexan-2-imine.
What is the SMILES notation for 5-methyl-N-octadec-9-enylhexan-2-imine?
The canonical SMILES for 5-methyl-N-octadec-9-enylhexan-2-imine is CCCCCCCCC=CCCCCCCCC/N=C(\C)CCC(C)C.
What is the InChIKey of 5-methyl-N-octadec-9-enylhexan-2-imine?
The InChIKey is WHWOGTLOSCHPDD-AKIZOYNWSA-N. The full InChI is InChI=1S/C25H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-25(4)22-21-24(2)3/h12-13,24H,5-11,14-23H2,1-4H3/b13-12?,26-25+.
What are the key properties of 5-methyl-N-octadec-9-enylhexan-2-imine?
5-methyl-N-octadec-9-enylhexan-2-imine has a molecular weight of 363.67 g/mol, XLogP of 8.92, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-octadec-9-enylhexan-2-imine is sourced from PubChem (CID 54431641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).