N-cyclohexyl-4-methylpentan-2-imine

C12H23N — CID 12538105

IUPACN-cyclohexyl-4-methylpentan-2-imine
SMILESC/C(CC(C)C)=N\C1CCCCC1
InChIInChI=1S/C12H23N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3/b13-11+
InChIKeyIDYNLQSBBFDISQ-ACCUITESSA-N
MW181.32 g/mol
LogP3.83
Rot. Bonds3

About N-cyclohexyl-4-methylpentan-2-imine

N-cyclohexyl-4-methylpentan-2-imine (PubChem CID 12538105) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-cyclohexyl-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-methylpentan-2-imine
PubChem CID12538105
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-cyclohexyl-4-methylpentan-2-imine
SMILESC/C(CC(C)C)=N\C1CCCCC1
InChIInChI=1S/C12H23N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3/b13-11+
InChIKeyIDYNLQSBBFDISQ-ACCUITESSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-methylpentan-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 N-cyclohexyl-4-methylpentan-2-imine?
The IUPAC name of N-cyclohexyl-4-methylpentan-2-imine (CID 12538105) is N-cyclohexyl-4-methylpentan-2-imine.
What is the SMILES notation for N-cyclohexyl-4-methylpentan-2-imine?
The canonical SMILES for N-cyclohexyl-4-methylpentan-2-imine is C/C(CC(C)C)=N\C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methylpentan-2-imine?
The InChIKey is IDYNLQSBBFDISQ-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3/b13-11+.
What are the key properties of N-cyclohexyl-4-methylpentan-2-imine?
N-cyclohexyl-4-methylpentan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylpentan-2-imine is sourced from PubChem (CID 12538105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).