2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine

C17H27N — CID 81350260

IUPAC2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@@H](C)NC2C(C)CCCC2C)cc1
InChIInChI=1S/C17H27N/c1-12-8-10-16(11-9-12)15(4)18-17-13(2)6-5-7-14(17)3/h8-11,13-15,17-18H,5-7H2,1-4H3/t13?,14?,15-,17?/m1/s1
InChIKeyZSFPUHJWHNEPTN-UKEPKTAJSA-N
MW245.41 g/mol
LogP4.47
Rot. Bonds3

About 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine

2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81350260) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID81350260
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@@H](C)NC2C(C)CCCC2C)cc1
InChIInChI=1S/C17H27N/c1-12-8-10-16(11-9-12)15(4)18-17-13(2)6-5-7-14(17)3/h8-11,13-15,17-18H,5-7H2,1-4H3/t13?,14?,15-,17?/m1/s1
InChIKeyZSFPUHJWHNEPTN-UKEPKTAJSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43223869
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 115713244
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
N-(2,6-dimethylcyclohexyl)-4-propan-2-ylaniline
CID 43110755
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
N-[1-(2,6-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 63449012
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (CID 81350260) is 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccc([C@@H](C)NC2C(C)CCCC2C)cc1.
What is the InChIKey of 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is ZSFPUHJWHNEPTN-UKEPKTAJSA-N. The full InChI is InChI=1S/C17H27N/c1-12-8-10-16(11-9-12)15(4)18-17-13(2)6-5-7-14(17)3/h8-11,13-15,17-18H,5-7H2,1-4H3/t13?,14?,15-,17?/m1/s1.
What are the key properties of 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81350260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).