1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one

C13H18N2O — CID 63753831

IUPAC1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
SMILESNC1CN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C13H18N2O/c14-12-9-15(10-12)13(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyRMHPTLBKOCBBFW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds4

About 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one

1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one (PubChem CID 63753831) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
PubChem CID63753831
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
SMILESNC1CN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C13H18N2O/c14-12-9-15(10-12)13(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyRMHPTLBKOCBBFW-UHFFFAOYSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-phenylbutan-1-one
CID 66211030
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 72940228
3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159452
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-4-phenylbutan-1-one
CID 121153492
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one (CID 63753831) is 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one is NC1CN(C(=O)CCCc2ccccc2)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is RMHPTLBKOCBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12-9-15(10-12)13(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2.
What are the key properties of 1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one?
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.18, 4 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)-4-phenylbutan-1-one is sourced from PubChem (CID 63753831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).