4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine

C19H31N — CID 81355631

IUPAC4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@H](C)NC2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31N/c1-14-6-8-16(9-7-14)15(2)20-18-12-10-17(11-13-18)19(3,4)5/h6-9,15,17-18,20H,10-13H2,1-5H3/t15-,17?,18?/m0/s1
InChIKeyMTAAOUFBKVHWAJ-ZLPCBKJTSA-N
MW273.46 g/mol
LogP5.25
Rot. Bonds3

About 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81355631) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID81355631
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc([C@H](C)NC2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31N/c1-14-6-8-16(9-7-14)15(2)20-18-12-10-17(11-13-18)19(3,4)5/h6-9,15,17-18,20H,10-13H2,1-5H3/t15-,17?,18?/m0/s1
InChIKeyMTAAOUFBKVHWAJ-ZLPCBKJTSA-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-methylphenyl)ethyl]cyclopropanamine
CID 16771025
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
CID 63448931
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
N-[(1R)-1-(4-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81349741
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine (CID 81355631) is 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccc([C@H](C)NC2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is MTAAOUFBKVHWAJ-ZLPCBKJTSA-N. The full InChI is InChI=1S/C19H31N/c1-14-6-8-16(9-7-14)15(2)20-18-12-10-17(11-13-18)19(3,4)5/h6-9,15,17-18,20H,10-13H2,1-5H3/t15-,17?,18?/m0/s1.
What are the key properties of 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-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 4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81355631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).