N-methyl-4-octan-4-ylcyclohept-2-en-1-imine

C16H29N — CID 123494760

IUPACN-methyl-4-octan-4-ylcyclohept-2-en-1-imine
SMILESCCCCC(CCC)C1C=C/C(=N/C)CCC1
InChIInChI=1S/C16H29N/c1-4-6-9-14(8-5-2)15-10-7-11-16(17-3)13-12-15/h12-15H,4-11H2,1-3H3/b17-16+
InChIKeySGWLHIRADJTSDF-WUKNDPDISA-N
MW235.41 g/mol
LogP5.02
Rot. Bonds6

About N-methyl-4-octan-4-ylcyclohept-2-en-1-imine

N-methyl-4-octan-4-ylcyclohept-2-en-1-imine (PubChem CID 123494760) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-methyl-4-octan-4-ylcyclohept-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-4-octan-4-ylcyclohept-2-en-1-imine
PubChem CID123494760
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-methyl-4-octan-4-ylcyclohept-2-en-1-imine
SMILESCCCCC(CCC)C1C=C/C(=N/C)CCC1
InChIInChI=1S/C16H29N/c1-4-6-9-14(8-5-2)15-10-7-11-16(17-3)13-12-15/h12-15H,4-11H2,1-3H3/b17-16+
InChIKeySGWLHIRADJTSDF-WUKNDPDISA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-octan-4-ylcyclohept-2-en-1-imine?
The IUPAC name of N-methyl-4-octan-4-ylcyclohept-2-en-1-imine (CID 123494760) is N-methyl-4-octan-4-ylcyclohept-2-en-1-imine.
What is the SMILES notation for N-methyl-4-octan-4-ylcyclohept-2-en-1-imine?
The canonical SMILES for N-methyl-4-octan-4-ylcyclohept-2-en-1-imine is CCCCC(CCC)C1C=C/C(=N/C)CCC1.
What is the InChIKey of N-methyl-4-octan-4-ylcyclohept-2-en-1-imine?
The InChIKey is SGWLHIRADJTSDF-WUKNDPDISA-N. The full InChI is InChI=1S/C16H29N/c1-4-6-9-14(8-5-2)15-10-7-11-16(17-3)13-12-15/h12-15H,4-11H2,1-3H3/b17-16+.
What are the key properties of N-methyl-4-octan-4-ylcyclohept-2-en-1-imine?
N-methyl-4-octan-4-ylcyclohept-2-en-1-imine has a molecular weight of 235.41 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-octan-4-ylcyclohept-2-en-1-imine is sourced from PubChem (CID 123494760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).