(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone

C12H21NO2 — CID 116579553

IUPAC(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2(N)CCOC2)C1
InChIInChI=1S/C12H21NO2/c1-9-3-2-4-10(7-9)11(14)12(13)5-6-15-8-12/h9-10H,2-8,13H2,1H3
InChIKeyMGBVDAKWHADLIA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.50
Rot. Bonds2

About (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone

(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone (PubChem CID 116579553) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
PubChem CID116579553
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2(N)CCOC2)C1
InChIInChI=1S/C12H21NO2/c1-9-3-2-4-10(7-9)11(14)12(13)5-6-15-8-12/h9-10H,2-8,13H2,1H3
InChIKeyMGBVDAKWHADLIA-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
CID 64893109
(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
CID 116579508
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
3-[(3-methylcyclohexyl)methyl]oxolan-3-amine
CID 130596584
(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
CID 116579256
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate
CID 64890439
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
CID 116598551
2-(1-aminocyclopentyl)-1-(3-methylcyclohexyl)ethanone
CID 116578687
(3S)-3-aminooxolane-3-carboxamide
CID 96640573

Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone (CID 116579553) is (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2(N)CCOC2)C1.
What is the InChIKey of (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone?
The InChIKey is MGBVDAKWHADLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-3-2-4-10(7-9)11(14)12(13)5-6-15-8-12/h9-10H,2-8,13H2,1H3.
What are the key properties of (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone?
(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 116579553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).