2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine

C18H29N — CID 79008149

IUPAC2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CCC(C)CC1C
InChIInChI=1S/C18H29N/c1-4-17(13-16-8-6-5-7-9-16)19-18-11-10-14(2)12-15(18)3/h5-9,14-15,17-19H,4,10-13H2,1-3H3
InChIKeyMGUUCYQEXDDQPM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds5

About 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine

2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine (PubChem CID 79008149) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
PubChem CID79008149
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CCC(C)CC1C
InChIInChI=1S/C18H29N/c1-4-17(13-16-8-6-5-7-9-16)19-18-11-10-14(2)12-15(18)3/h5-9,14-15,17-19H,4,10-13H2,1-3H3
InChIKeyMGUUCYQEXDDQPM-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-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

Related Compounds

2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine (CID 79008149) is 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine is CCC(Cc1ccccc1)NC1CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is MGUUCYQEXDDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-17(13-16-8-6-5-7-9-16)19-18-11-10-14(2)12-15(18)3/h5-9,14-15,17-19H,4,10-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79008149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).