3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine

C14H25N — CID 137398651

IUPAC3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine
SMILES[H]/N=C(\C)C(C)(CC1CCCCC1)C(=C)C
InChIInChI=1S/C14H25N/c1-11(2)14(4,12(3)15)10-13-8-6-5-7-9-13/h13,15H,1,5-10H2,2-4H3/b15-12+
InChIKeyUOWOVVWLHMMZAY-NTCAYCPXSA-N
MW207.36 g/mol
LogP4.58
Rot. Bonds4

About 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine

3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine (PubChem CID 137398651) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine
PubChem CID137398651
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine
SMILES[H]/N=C(\C)C(C)(CC1CCCCC1)C(=C)C
InChIInChI=1S/C14H25N/c1-11(2)14(4,12(3)15)10-13-8-6-5-7-9-13/h13,15H,1,5-10H2,2-4H3/b15-12+
InChIKeyUOWOVVWLHMMZAY-NTCAYCPXSA-N
XLogP4.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(cyclohexylmethyl)-3,4-dimethylpent-4-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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine?
The IUPAC name of 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine (CID 137398651) is 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine.
What is the SMILES notation for 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine?
The canonical SMILES for 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine is [H]/N=C(\C)C(C)(CC1CCCCC1)C(=C)C.
What is the InChIKey of 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine?
The InChIKey is UOWOVVWLHMMZAY-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H25N/c1-11(2)14(4,12(3)15)10-13-8-6-5-7-9-13/h13,15H,1,5-10H2,2-4H3/b15-12+.
What are the key properties of 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine?
3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-3,4-dimethylpent-4-en-2-imine is sourced from PubChem (CID 137398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).