[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone

C13H19NO2 — CID 116604200

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone
SMILESCC1CCC(CN)(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H19NO2/c1-10-4-6-13(9-14,7-5-10)12(15)11-3-2-8-16-11/h2-3,8,10H,4-7,9,14H2,1H3
InChIKeyGBKYGDUABXSBQA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.62
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone (PubChem CID 116604200) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone
PubChem CID116604200
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone
SMILESCC1CCC(CN)(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H19NO2/c1-10-4-6-13(9-14,7-5-10)12(15)11-3-2-8-16-11/h2-3,8,10H,4-7,9,14H2,1H3
InChIKeyGBKYGDUABXSBQA-UHFFFAOYSA-N
XLogP2.62
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromofuran-2-yl)methanone
CID 116604105
[1-(aminomethyl)-4-methylcyclohexyl]-(3-ethylphenyl)methanone
CID 116604116
[1-(aminomethyl)-4-methylcyclohexyl]-naphthalen-2-ylmethanone
CID 116604104
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanol
CID 79135081
[1-(aminomethyl)-4-methylcyclohexyl]-isoquinolin-4-ylmethanone
CID 116604076
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441678

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone (CID 116604200) is [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone is CC1CCC(CN)(C(=O)c2ccco2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone?
The InChIKey is GBKYGDUABXSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-6-13(9-14,7-5-10)12(15)11-3-2-8-16-11/h2-3,8,10H,4-7,9,14H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(furan-2-yl)methanone is sourced from PubChem (CID 116604200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).