N-cyclohexyl-4-methylpent-3-en-2-imine

C12H21N — CID 15564955

IUPACN-cyclohexyl-4-methylpent-3-en-2-imine
SMILESCC(C)=C/C(C)=N/C1CCCCC1
InChIInChI=1S/C12H21N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3/b13-11+
InChIKeyDEMKUOQYTRCQEA-ACCUITESSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds2

About N-cyclohexyl-4-methylpent-3-en-2-imine

N-cyclohexyl-4-methylpent-3-en-2-imine (PubChem CID 15564955) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-cyclohexyl-4-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-methylpent-3-en-2-imine
PubChem CID15564955
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclohexyl-4-methylpent-3-en-2-imine
SMILESCC(C)=C/C(C)=N/C1CCCCC1
InChIInChI=1S/C12H21N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3/b13-11+
InChIKeyDEMKUOQYTRCQEA-ACCUITESSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-methylpent-3-en-2-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

N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
1-(cyclohexen-1-yl)-N-cyclohexylpropan-1-imine
CID 86006548
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
N-cyclohexyl-4-methylpent-3-en-2-imine oxide
CID 134998216
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
4-Ethyl-2-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 149525245
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
2,4,6-Trimethyl-2,3-dihydropyridine
CID 53631314

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylpent-3-en-2-imine?
The IUPAC name of N-cyclohexyl-4-methylpent-3-en-2-imine (CID 15564955) is N-cyclohexyl-4-methylpent-3-en-2-imine.
What is the SMILES notation for N-cyclohexyl-4-methylpent-3-en-2-imine?
The canonical SMILES for N-cyclohexyl-4-methylpent-3-en-2-imine is CC(C)=C/C(C)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methylpent-3-en-2-imine?
The InChIKey is DEMKUOQYTRCQEA-ACCUITESSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3/b13-11+.
What are the key properties of N-cyclohexyl-4-methylpent-3-en-2-imine?
N-cyclohexyl-4-methylpent-3-en-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylpent-3-en-2-imine is sourced from PubChem (CID 15564955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).