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

C18H29N — CID 63449363

IUPAC3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C18H29N/c1-13-6-8-16(9-7-13)15(3)19-17-10-14(2)11-18(4,5)12-17/h6-9,14-15,17,19H,10-12H2,1-5H3
InChIKeyLWRFISHVAYRIGS-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds3

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

3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 63449363) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID63449363
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCc1ccc(C(C)NC2CC(C)CC(C)(C)C2)cc1
InChIInChI=1S/C18H29N/c1-13-6-8-16(9-7-13)15(3)19-17-10-14(2)11-18(4,5)12-17/h6-9,14-15,17,19H,10-12H2,1-5H3
InChIKeyLWRFISHVAYRIGS-UHFFFAOYSA-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

N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43078690
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
N-[1-(3-bromophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43426732
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 81403333
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
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-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43432492
N-[1-(4-chlorophenyl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43434325
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine (CID 63449363) is 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine is Cc1ccc(C(C)NC2CC(C)CC(C)(C)C2)cc1.
What is the InChIKey of 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is LWRFISHVAYRIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-6-8-16(9-7-13)15(3)19-17-10-14(2)11-18(4,5)12-17/h6-9,14-15,17,19H,10-12H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[1-(4-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 3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63449363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).