1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine

C16H29N — CID 145204265

IUPAC1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine
SMILESCC(N)C1CCC/C(=C\C2CCCCC2)C1C
InChIInChI=1S/C16H29N/c1-12-15(9-6-10-16(12)13(2)17)11-14-7-4-3-5-8-14/h11-14,16H,3-10,17H2,1-2H3/b15-11+
InChIKeyNXYKUMXSQZDUEE-RVDMUPIBSA-N
MW235.41 g/mol
LogP4.28
Rot. Bonds2

About 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine

1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine (PubChem CID 145204265) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine
PubChem CID145204265
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine
SMILESCC(N)C1CCC/C(=C\C2CCCCC2)C1C
InChIInChI=1S/C16H29N/c1-12-15(9-6-10-16(12)13(2)17)11-14-7-4-3-5-8-14/h11-14,16H,3-10,17H2,1-2H3/b15-11+
InChIKeyNXYKUMXSQZDUEE-RVDMUPIBSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine 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 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine?
The IUPAC name of 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine (CID 145204265) is 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine.
What is the SMILES notation for 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine?
The canonical SMILES for 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine is CC(N)C1CCC/C(=C\C2CCCCC2)C1C.
What is the InChIKey of 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine?
The InChIKey is NXYKUMXSQZDUEE-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H29N/c1-12-15(9-6-10-16(12)13(2)17)11-14-7-4-3-5-8-14/h11-14,16H,3-10,17H2,1-2H3/b15-11+.
What are the key properties of 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine?
1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine has a molecular weight of 235.41 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-(cyclohexylmethylidene)-2-methylcyclohexyl]ethanamine is sourced from PubChem (CID 145204265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).