3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine

C20H33N — CID 103965752

IUPAC3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C20H33N/c1-6-17(12-16-10-8-7-9-11-16)21-18-13-19(2,3)15-20(4,5)14-18/h7-11,17-18,21H,6,12-15H2,1-5H3
InChIKeyLKYBTDHPINMDGP-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.20
Rot. Bonds5

About 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine

3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine (PubChem CID 103965752) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
PubChem CID103965752
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(Cc1ccccc1)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C20H33N/c1-6-17(12-16-10-8-7-9-11-16)21-18-13-19(2,3)15-20(4,5)14-18/h7-11,17-18,21H,6,12-15H2,1-5H3
InChIKeyLKYBTDHPINMDGP-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,5,5-tetramethyl-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

3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
2-[(5,5-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79958163
3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
CID 112682097
3-(1,4-diphenylbutan-2-ylamino)-1-methylcyclobutane-1-carboxylic acid
CID 166275225
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
5-phenyl-4-[(3,3,5-trimethylcyclohexyl)amino]pentanoic acid
CID 122046069
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008149

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine (CID 103965752) is 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine is CCC(Cc1ccccc1)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is LKYBTDHPINMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-17(12-16-10-8-7-9-11-16)21-18-13-19(2,3)15-20(4,5)14-18/h7-11,17-18,21H,6,12-15H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 103965752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).