1-(3-amino-1-methylazetidin-3-yl)propan-2-one

C7H14N2O — CID 115011480

IUPAC1-(3-amino-1-methylazetidin-3-yl)propan-2-one
SMILESCC(=O)CC1(N)CN(C)C1
InChIInChI=1S/C7H14N2O/c1-6(10)3-7(8)4-9(2)5-7/h3-5,8H2,1-2H3
InChIKeyULKIDDWOQIDOAB-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.39
Rot. Bonds2

About 1-(3-amino-1-methylazetidin-3-yl)propan-2-one

1-(3-amino-1-methylazetidin-3-yl)propan-2-one (PubChem CID 115011480) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-amino-1-methylazetidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-amino-1-methylazetidin-3-yl)propan-2-one
PubChem CID115011480
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3-amino-1-methylazetidin-3-yl)propan-2-one
SMILESCC(=O)CC1(N)CN(C)C1
InChIInChI=1S/C7H14N2O/c1-6(10)3-7(8)4-9(2)5-7/h3-5,8H2,1-2H3
InChIKeyULKIDDWOQIDOAB-UHFFFAOYSA-N
XLogP-0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-1-methylazepan-4-yl)propan-2-one
CID 115016769
1-(1-amino-3,3-difluorocyclobutyl)propan-2-one
CID 175327835
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
methyl 2-(3-amino-1-methylazepan-3-yl)acetate
CID 83908328
1-(3-aminopyrrolidin-3-yl)propan-2-one
CID 115011479
2-(3-amino-1-methylpiperidin-3-yl)acetate
CID 86649846
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
(3-amino-1-methylpyrrolidin-3-yl)methanol;ethane
CID 171517392
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 89224830
N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide
CID 167168227
2-(4-amino-1-methylazepan-4-yl)acetamide
CID 83846985
1-(2-ethyl-1,3-dithiolan-2-yl)propan-2-one
CID 14111946

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-methylazetidin-3-yl)propan-2-one?
The IUPAC name of 1-(3-amino-1-methylazetidin-3-yl)propan-2-one (CID 115011480) is 1-(3-amino-1-methylazetidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(3-amino-1-methylazetidin-3-yl)propan-2-one?
The canonical SMILES for 1-(3-amino-1-methylazetidin-3-yl)propan-2-one is CC(=O)CC1(N)CN(C)C1.
What is the InChIKey of 1-(3-amino-1-methylazetidin-3-yl)propan-2-one?
The InChIKey is ULKIDDWOQIDOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(10)3-7(8)4-9(2)5-7/h3-5,8H2,1-2H3.
What are the key properties of 1-(3-amino-1-methylazetidin-3-yl)propan-2-one?
1-(3-amino-1-methylazetidin-3-yl)propan-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-methylazetidin-3-yl)propan-2-one is sourced from PubChem (CID 115011480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).