N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide

C9H18N2O — CID 58468810

IUPACN,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide
SMILESCC(C)C(=O)N(C)C1CN(C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)11(4)8-5-10(3)6-8/h7-8H,5-6H2,1-4H3
InChIKeySSQSTAJQQYRHHY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.41
Rot. Bonds2

About N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide

N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide (PubChem CID 58468810) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide
PubChem CID58468810
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide
SMILESCC(C)C(=O)N(C)C1CN(C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)11(4)8-5-10(3)6-8/h7-8H,5-6H2,1-4H3
InChIKeySSQSTAJQQYRHHY-UHFFFAOYSA-N
XLogP0.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide?
The IUPAC name of N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide (CID 58468810) is N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide.
What is the SMILES notation for N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide?
The canonical SMILES for N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide is CC(C)C(=O)N(C)C1CN(C)C1.
What is the InChIKey of N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide?
The InChIKey is SSQSTAJQQYRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)9(12)11(4)8-5-10(3)6-8/h7-8H,5-6H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide?
N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide is sourced from PubChem (CID 58468810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).