1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone

C18H21NO — CID 121245244

IUPAC1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(NC3CCCCC3)ccc2c1
InChIInChI=1S/C18H21NO/c1-13(20)14-7-8-16-12-18(10-9-15(16)11-14)19-17-5-3-2-4-6-17/h7-12,17,19H,2-6H2,1H3
InChIKeyAMGASPJOSMZHEQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.79
Rot. Bonds3

About 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone

1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone (PubChem CID 121245244) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone
PubChem CID121245244
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(NC3CCCCC3)ccc2c1
InChIInChI=1S/C18H21NO/c1-13(20)14-7-8-16-12-18(10-9-15(16)11-14)19-17-5-3-2-4-6-17/h7-12,17,19H,2-6H2,1H3
InChIKeyAMGASPJOSMZHEQ-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(6-acetylnaphthalen-2-yl)amino]cyclohexyl]acetamide
CID 118980727
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
methyl 6-[(4-methylcyclohexyl)amino]naphthalene-2-carboxylate
CID 90026962
1-[6-[(2-hydroxycyclohexyl)amino]naphthalen-2-yl]ethanone;1-(6-hydroxynaphthalen-2-yl)ethanone;trans-(1S,2S)-2-aminocyclohexan-1-ol
CID 158302470
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone (CID 121245244) is 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone is CC(=O)c1ccc2cc(NC3CCCCC3)ccc2c1.
What is the InChIKey of 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone?
The InChIKey is AMGASPJOSMZHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(20)14-7-8-16-12-18(10-9-15(16)11-14)19-17-5-3-2-4-6-17/h7-12,17,19H,2-6H2,1H3.
What are the key properties of 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone?
1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclohexylamino)naphthalen-2-yl]ethanone is sourced from PubChem (CID 121245244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).