4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine

C18H28N2 — CID 174626457

IUPAC4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILES[H]/N=C(\CCC)C1CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C18H28N2/c1-4-8-17(19)15-11-13-18(14-12-15,20(2)3)16-9-6-5-7-10-16/h5-7,9-10,15,19H,4,8,11-14H2,1-3H3/b19-17+
InChIKeyBKKGUKDXVSSCFD-HTXNQAPBSA-N
MW272.44 g/mol
LogP4.45
Rot. Bonds5

About 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 174626457) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID174626457
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILES[H]/N=C(\CCC)C1CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C18H28N2/c1-4-8-17(19)15-11-13-18(14-12-15,20(2)3)16-9-6-5-7-10-16/h5-7,9-10,15,19H,4,8,11-14H2,1-3H3/b19-17+
InChIKeyBKKGUKDXVSSCFD-HTXNQAPBSA-N
XLogP4.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine 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 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 174626457) is 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine is [H]/N=C(\CCC)C1CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is BKKGUKDXVSSCFD-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-8-17(19)15-11-13-18(14-12-15,20(2)3)16-9-6-5-7-10-16/h5-7,9-10,15,19H,4,8,11-14H2,1-3H3/b19-17+.
What are the key properties of 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanimidoyl-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 174626457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).