4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one

C18H21NO — CID 117039753

IUPAC4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
SMILESCN(Cc1ccc2ccccc2c1)C1CCC(=O)CC1
InChIInChI=1S/C18H21NO/c1-19(17-8-10-18(20)11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12,17H,8-11,13H2,1H3
InChIKeyQUGDYXHYWUVNGL-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.78
Rot. Bonds3

About 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one

4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one (PubChem CID 117039753) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
PubChem CID117039753
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
SMILESCN(Cc1ccc2ccccc2c1)C1CCC(=O)CC1
InChIInChI=1S/C18H21NO/c1-19(17-8-10-18(20)11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12,17H,8-11,13H2,1H3
InChIKeyQUGDYXHYWUVNGL-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dimethylphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120330
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
4-[(3,4-dimethoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119947
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120433
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
CID 117039748
CID 15863483
CID 15863483
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
4-[methyl(1,2-oxazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79119691
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
5-[2-hydroxyethyl(methyl)amino]-1-(naphthalen-2-ylmethyl)azepan-2-one
CID 45173611
4-[(3-methoxy-5-nitrophenyl)methyl-methylamino]cyclohexan-1-one
CID 81144978
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one (CID 117039753) is 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one is CN(Cc1ccc2ccccc2c1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one?
The InChIKey is QUGDYXHYWUVNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19(17-8-10-18(20)11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12,17H,8-11,13H2,1H3.
What are the key properties of 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one?
4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 117039753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).