4-hexylcyclohex-2-en-1-imine

C12H21N — CID 123354145

IUPAC4-hexylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CCCCCC)CC1
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7,9,11,13H,2-6,8,10H2,1H3/b13-12-
InChIKeyLTEWNLJHFJAOFY-SEYXRHQNSA-N
MW179.31 g/mol
LogP3.94
Rot. Bonds5

About 4-hexylcyclohex-2-en-1-imine

4-hexylcyclohex-2-en-1-imine (PubChem CID 123354145) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-hexylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-hexylcyclohex-2-en-1-imine
PubChem CID123354145
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-hexylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CCCCCC)CC1
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7,9,11,13H,2-6,8,10H2,1H3/b13-12-
InChIKeyLTEWNLJHFJAOFY-SEYXRHQNSA-N
XLogP3.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-hexylcyclohex-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
4-(2-Methylidenebutyl)cyclohexa-2,5-dien-1-imine
CID 60131096

Frequently Asked Questions

What is the IUPAC name of 4-hexylcyclohex-2-en-1-imine?
The IUPAC name of 4-hexylcyclohex-2-en-1-imine (CID 123354145) is 4-hexylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-hexylcyclohex-2-en-1-imine?
The canonical SMILES for 4-hexylcyclohex-2-en-1-imine is [H]/N=C1/C=CC(CCCCCC)CC1.
What is the InChIKey of 4-hexylcyclohex-2-en-1-imine?
The InChIKey is LTEWNLJHFJAOFY-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7,9,11,13H,2-6,8,10H2,1H3/b13-12-.
What are the key properties of 4-hexylcyclohex-2-en-1-imine?
4-hexylcyclohex-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylcyclohex-2-en-1-imine is sourced from PubChem (CID 123354145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).