3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine

C19H31N — CID 103961012

IUPAC3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31N/c1-14-7-9-16(10-8-14)15(2)20-17-11-18(3,4)13-19(5,6)12-17/h7-10,15,17,20H,11-13H2,1-6H3/t15-/m0/s1
InChIKeyUIXOWSNWOHOQGZ-HNNXBMFYSA-N
MW273.46 g/mol
LogP5.25
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 103961012) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID103961012
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)cc1
InChIInChI=1S/C19H31N/c1-14-7-9-16(10-8-14)15(2)20-17-11-18(3,4)13-19(5,6)12-17/h7-10,15,17,20H,11-13H2,1-6H3/t15-/m0/s1
InChIKeyUIXOWSNWOHOQGZ-HNNXBMFYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 63449363
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
N-[1-(2,5-dimethylphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998779
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
CID 103965620
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
3,3,5,5-tetramethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112568566

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (CID 103961012) is 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccc([C@H](C)NC2CC(C)(C)CC(C)(C)C2)cc1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is UIXOWSNWOHOQGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-7-9-16(10-8-14)15(2)20-17-11-18(3,4)13-19(5,6)12-17/h7-10,15,17,20H,11-13H2,1-6H3/t15-/m0/s1.
What are the key properties of 3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.25, 3 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-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).