2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine

C18H29N — CID 81360676

IUPAC2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1cccc([C@H](C)NC2CCC(C)(C)CC2C)c1
InChIInChI=1S/C18H29N/c1-13-7-6-8-16(11-13)15(3)19-17-9-10-18(4,5)12-14(17)2/h6-8,11,14-15,17,19H,9-10,12H2,1-5H3/t14?,15-,17?/m0/s1
InChIKeyVZNOIUQCVLTGIM-CKDBGZEDSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds3

About 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81360676) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID81360676
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1cccc([C@H](C)NC2CCC(C)(C)CC2C)c1
InChIInChI=1S/C18H29N/c1-13-7-6-8-16(11-13)15(3)19-17-9-10-18(4,5)12-14(17)2/h6-8,11,14-15,17,19H,9-10,12H2,1-5H3/t14?,15-,17?/m0/s1
InChIKeyVZNOIUQCVLTGIM-CKDBGZEDSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
N-[1-(2,6-difluorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321511
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine
CID 81321021
N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81321039
2,4,4-trimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401371
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81364343
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661841
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine (CID 81360676) is 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine is Cc1cccc([C@H](C)NC2CCC(C)(C)CC2C)c1.
What is the InChIKey of 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is VZNOIUQCVLTGIM-CKDBGZEDSA-N. The full InChI is InChI=1S/C18H29N/c1-13-7-6-8-16(11-13)15(3)19-17-9-10-18(4,5)12-14(17)2/h6-8,11,14-15,17,19H,9-10,12H2,1-5H3/t14?,15-,17?/m0/s1.
What are the key properties of 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).