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

C13H19NOS — CID 116604219

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
SMILESCC1CCC(CN)(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H19NOS/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
InChIKeyUEIDDLPFKRVBDM-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.09
Rot. Bonds3

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

[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone (PubChem CID 116604219) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
PubChem CID116604219
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
SMILESCC1CCC(CN)(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H19NOS/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
InChIKeyUEIDDLPFKRVBDM-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 115441973
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116604066
[1-(aminomethyl)-4-methylcyclohexyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 115442062
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
[1-(aminomethyl)-4-methylcyclohexyl]-isoquinolin-4-ylmethanone
CID 116604076
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone (CID 116604219) is [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone is CC1CCC(CN)(C(=O)c2cccs2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone?
The InChIKey is UEIDDLPFKRVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/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]-thiophen-2-ylmethanone?
[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone has a molecular weight of 237.37 g/mol, XLogP of 3.09, 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]-thiophen-2-ylmethanone is sourced from PubChem (CID 116604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).