azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone

C12H22N2O — CID 147297382

IUPACazetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone
SMILESCC(C)(C)CC1CN(C(=O)N2CCC2)C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)7-10-8-14(9-10)11(15)13-5-4-6-13/h10H,4-9H2,1-3H3
InChIKeyCVJVZXPSDOXQOK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.18
Rot. Bonds1

About azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone

azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone (PubChem CID 147297382) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone
PubChem CID147297382
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone
SMILESCC(C)(C)CC1CN(C(=O)N2CCC2)C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)7-10-8-14(9-10)11(15)13-5-4-6-13/h10H,4-9H2,1-3H3
InChIKeyCVJVZXPSDOXQOK-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone (CID 147297382) is azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone is CC(C)(C)CC1CN(C(=O)N2CCC2)C1.
What is the InChIKey of azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone?
The InChIKey is CVJVZXPSDOXQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)7-10-8-14(9-10)11(15)13-5-4-6-13/h10H,4-9H2,1-3H3.
What are the key properties of azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone?
azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(2,2-dimethylpropyl)azetidin-1-yl]methanone is sourced from PubChem (CID 147297382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).