1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one

C13H18N2O — CID 63753267

IUPAC1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CC(N)C1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-2-12(10-6-4-3-5-7-10)13(16)15-8-11(14)9-15/h3-7,11-12H,2,8-9,14H2,1H3
InChIKeyAWOXHDRDBASCRJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds3

About 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one

1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one (PubChem CID 63753267) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
PubChem CID63753267
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CC(N)C1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-2-12(10-6-4-3-5-7-10)13(16)15-8-11(14)9-15/h3-7,11-12H,2,8-9,14H2,1H3
InChIKeyAWOXHDRDBASCRJ-UHFFFAOYSA-N
XLogP1.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
1-[3-(2-bromoethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 80669505
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-phenylbutan-1-one
CID 43603910
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844
1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
CID 119579782
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-phenylbutan-1-one
CID 80504911
(2S)-2-phenyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 129352862
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
(2R)-1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl]-2-phenylbutan-1-one
CID 124759739

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one (CID 63753267) is 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one is CCC(C(=O)N1CC(N)C1)c1ccccc1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one?
The InChIKey is AWOXHDRDBASCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12(10-6-4-3-5-7-10)13(16)15-8-11(14)9-15/h3-7,11-12H,2,8-9,14H2,1H3.
What are the key properties of 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one?
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 63753267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).