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

C17H27N — CID 81349448

IUPAC4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@@H](C)NC2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H27N/c1-13-5-7-15(8-6-13)14(2)18-16-9-11-17(3,4)12-10-16/h5-8,14,16,18H,9-12H2,1-4H3/t14-/m1/s1
InChIKeyOAAPKWAXQIWYPS-CQSZACIVSA-N
MW245.41 g/mol
LogP4.61
Rot. Bonds3

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

4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81349448) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID81349448
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@@H](C)NC2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H27N/c1-13-5-7-15(8-6-13)14(2)18-16-9-11-17(3,4)12-10-16/h5-8,14,16,18H,9-12H2,1-4H3/t14-/m1/s1
InChIKeyOAAPKWAXQIWYPS-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

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Related Compounds

N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
N-[(1R)-1-(4-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81349741
3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 63449363
4-[1-[(4,4-dimethylcycloheptyl)amino]ethyl]benzonitrile
CID 65084191
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (CID 81349448) is 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccc([C@@H](C)NC2CCC(C)(C)CC2)cc1.
What is the InChIKey of 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is OAAPKWAXQIWYPS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N/c1-13-5-7-15(8-6-13)14(2)18-16-9-11-17(3,4)12-10-16/h5-8,14,16,18H,9-12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
4,4-dimethyl-N-[(1R)-1-(4-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-(4-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81349448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).