[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone

C19H23NO — CID 116604104

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
SMILESCC1CCC(CN)(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H23NO/c1-14-8-10-19(13-20,11-9-14)18(21)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13,20H2,1H3
InChIKeyFOBCCUDNQANLPT-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.18
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone

[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone (PubChem CID 116604104) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
PubChem CID116604104
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
SMILESCC1CCC(CN)(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H23NO/c1-14-8-10-19(13-20,11-9-14)18(21)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13,20H2,1H3
InChIKeyFOBCCUDNQANLPT-UHFFFAOYSA-N
XLogP4.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone
CID 116922801
[1-(aminomethyl)-4-methylcyclohexyl]-(4-chloro-3-methoxyphenyl)methanone
CID 116604180
[1-(aminomethyl)-4-methylcyclohexyl]-isoquinolin-4-ylmethanone
CID 116604076
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone
CID 116604200
[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
CID 116604219
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone (CID 116604104) is [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone is CC1CCC(CN)(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone?
The InChIKey is FOBCCUDNQANLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-10-19(13-20,11-9-14)18(21)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13,20H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone?
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone has a molecular weight of 281.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 116604104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).