3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine

C20H27N — CID 64732072

IUPAC3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H27N/c1-14-10-15(2)12-20(11-14)21-16(3)18-9-8-17-6-4-5-7-19(17)13-18/h4-9,13-16,20-21H,10-12H2,1-3H3
InChIKeyWMERTBBXAPRVOA-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.32
Rot. Bonds3

About 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine

3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine (PubChem CID 64732072) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine
PubChem CID64732072
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H27N/c1-14-10-15(2)12-20(11-14)21-16(3)18-9-8-17-6-4-5-7-19(17)13-18/h4-9,13-16,20-21H,10-12H2,1-3H3
InChIKeyWMERTBBXAPRVOA-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-naphthalen-2-ylethyl)cyclobutanamine
CID 62415710
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclohexan-1-amine
CID 64752209
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
CID 115906392

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine (CID 64732072) is 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine is CC1CC(C)CC(NC(C)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine?
The InChIKey is WMERTBBXAPRVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14-10-15(2)12-20(11-14)21-16(3)18-9-8-17-6-4-5-7-19(17)13-18/h4-9,13-16,20-21H,10-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine?
3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-naphthalen-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 64732072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).