1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one

C9H18N2O — CID 121200108

IUPAC1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)6-11-4-7(10)5-11/h7H,4-6,10H2,1-3H3
InChIKeySILWPUXFGCIMFB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.24
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one

1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 121200108) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID121200108
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(12)6-11-4-7(10)5-11/h7H,4-6,10H2,1-3H3
InChIKeySILWPUXFGCIMFB-UHFFFAOYSA-N
XLogP0.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
CID 62205767
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
CID 129493333
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 131181729
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
CID 22313268
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one (CID 121200108) is 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CC(N)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is SILWPUXFGCIMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8(12)6-11-4-7(10)5-11/h7H,4-6,10H2,1-3H3.
What are the key properties of 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one?
1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 121200108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).