3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one

C11H20N2O2 — CID 63763563

IUPAC3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one
SMILESCC1CCCC(CN)(N2CCOC2=O)C1
InChIInChI=1S/C11H20N2O2/c1-9-3-2-4-11(7-9,8-12)13-5-6-15-10(13)14/h9H,2-8,12H2,1H3
InChIKeyAIHMWODVKYJCEH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.35
Rot. Bonds2

About 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one

3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one (PubChem CID 63763563) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one
PubChem CID63763563
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one
SMILESCC1CCCC(CN)(N2CCOC2=O)C1
InChIInChI=1S/C11H20N2O2/c1-9-3-2-4-11(7-9,8-12)13-5-6-15-10(13)14/h9H,2-8,12H2,1H3
InChIKeyAIHMWODVKYJCEH-UHFFFAOYSA-N
XLogP1.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one
CID 63763914
4-[1-(aminomethyl)-3-methylcyclohexyl]-1,2,4-triazolidine-3,5-dione
CID 107410101
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
[1-(2-ethylpyrrolidin-1-yl)-3-methylcyclohexyl]methanamine
CID 60974436
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
CID 104549525
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methylcyclohexyl]methanamine
CID 43185272
[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylcyclohexyl]methanamine
CID 55148830
[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine
CID 55011166

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one (CID 63763563) is 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one is CC1CCCC(CN)(N2CCOC2=O)C1.
What is the InChIKey of 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
The InChIKey is AIHMWODVKYJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-3-2-4-11(7-9,8-12)13-5-6-15-10(13)14/h9H,2-8,12H2,1H3.
What are the key properties of 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one?
3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-3-methylcyclohexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 63763563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).