3-amino-1-(2-ethylhexyl)azetidin-2-one

C11H22N2O — CID 107819375

IUPAC3-amino-1-(2-ethylhexyl)azetidin-2-one
SMILESCCCCC(CC)CN1CC(N)C1=O
InChIInChI=1S/C11H22N2O/c1-3-5-6-9(4-2)7-13-8-10(12)11(13)14/h9-10H,3-8,12H2,1-2H3
InChIKeyHDWLYINRDXFJBG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-1-(2-ethylhexyl)azetidin-2-one

3-amino-1-(2-ethylhexyl)azetidin-2-one (PubChem CID 107819375) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-1-(2-ethylhexyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-ethylhexyl)azetidin-2-one
PubChem CID107819375
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-1-(2-ethylhexyl)azetidin-2-one
SMILESCCCCC(CC)CN1CC(N)C1=O
InChIInChI=1S/C11H22N2O/c1-3-5-6-9(4-2)7-13-8-10(12)11(13)14/h9-10H,3-8,12H2,1-2H3
InChIKeyHDWLYINRDXFJBG-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)imidazolidin-2-one
CID 107819225
1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64880912
3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione
CID 64879426
3-(2-ethylhexyl)imidazolidin-4-one
CID 107819301
4-ethenyl-1-(2-ethylhexyl)pyrrolidin-2-one
CID 168683622
1-(2-ethylhexyl)azepan-2-one
CID 15001204
1-(2-ethylhexyl)-6-oxopiperidine-3-carboxylic acid
CID 62216405
(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
(1R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25141463
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674809

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethylhexyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(2-ethylhexyl)azetidin-2-one (CID 107819375) is 3-amino-1-(2-ethylhexyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(2-ethylhexyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(2-ethylhexyl)azetidin-2-one is CCCCC(CC)CN1CC(N)C1=O.
What is the InChIKey of 3-amino-1-(2-ethylhexyl)azetidin-2-one?
The InChIKey is HDWLYINRDXFJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-6-9(4-2)7-13-8-10(12)11(13)14/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(2-ethylhexyl)azetidin-2-one?
3-amino-1-(2-ethylhexyl)azetidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethylhexyl)azetidin-2-one is sourced from PubChem (CID 107819375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).