4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine

C17H27N — CID 81373520

IUPAC4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1[C@@H](C)NC1CCC(C)(C)CC1
InChIInChI=1S/C17H27N/c1-13-7-5-6-8-16(13)14(2)18-15-9-11-17(3,4)12-10-15/h5-8,14-15,18H,9-12H2,1-4H3/t14-/m1/s1
InChIKeyMKRXPMNDUBMDHC-CQSZACIVSA-N
MW245.41 g/mol
LogP4.61
Rot. Bonds3

About 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine

4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81373520) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID81373520
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccccc1[C@@H](C)NC1CCC(C)(C)CC1
InChIInChI=1S/C17H27N/c1-13-7-5-6-8-16(13)14(2)18-15-9-11-17(3,4)12-10-15/h5-8,14-15,18H,9-12H2,1-4H3/t14-/m1/s1
InChIKeyMKRXPMNDUBMDHC-CQSZACIVSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]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

4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine (CID 81373520) is 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccccc1[C@@H](C)NC1CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is MKRXPMNDUBMDHC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N/c1-13-7-5-6-8-16(13)14(2)18-15-9-11-17(3,4)12-10-15/h5-8,14-15,18H,9-12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81373520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).