4-butyl-N-methylcyclohex-2-en-1-imine

C11H19N — CID 91428157

IUPAC4-butyl-N-methylcyclohex-2-en-1-imine
SMILESCCCCC1C=C/C(=N/C)CC1
InChIInChI=1S/C11H19N/c1-3-4-5-10-6-8-11(12-2)9-7-10/h6,8,10H,3-5,7,9H2,1-2H3/b12-11-
InChIKeyVXMXIFUNDOPNSH-QXMHVHEDSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds3

About 4-butyl-N-methylcyclohex-2-en-1-imine

4-butyl-N-methylcyclohex-2-en-1-imine (PubChem CID 91428157) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-butyl-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-butyl-N-methylcyclohex-2-en-1-imine
PubChem CID91428157
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-butyl-N-methylcyclohex-2-en-1-imine
SMILESCCCCC1C=C/C(=N/C)CC1
InChIInChI=1S/C11H19N/c1-3-4-5-10-6-8-11(12-2)9-7-10/h6,8,10H,3-5,7,9H2,1-2H3/b12-11-
InChIKeyVXMXIFUNDOPNSH-QXMHVHEDSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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

2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine
CID 89186118
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
1-Cyclohexyl-imino-2-butene
CID 129765474
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
CID 162588361
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methylcyclohex-2-en-1-imine?
The IUPAC name of 4-butyl-N-methylcyclohex-2-en-1-imine (CID 91428157) is 4-butyl-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-butyl-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for 4-butyl-N-methylcyclohex-2-en-1-imine is CCCCC1C=C/C(=N/C)CC1.
What is the InChIKey of 4-butyl-N-methylcyclohex-2-en-1-imine?
The InChIKey is VXMXIFUNDOPNSH-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-10-6-8-11(12-2)9-7-10/h6,8,10H,3-5,7,9H2,1-2H3/b12-11-.
What are the key properties of 4-butyl-N-methylcyclohex-2-en-1-imine?
4-butyl-N-methylcyclohex-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 91428157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).