1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one

C9H19N3O — CID 116978853

IUPAC1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one
SMILESCC1CN(CCC(C)(C)N)C(=O)N1
InChIInChI=1S/C9H19N3O/c1-7-6-12(8(13)11-7)5-4-9(2,3)10/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyZYDWRAUOJBCRMP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds3

About 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one

1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one (PubChem CID 116978853) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one
PubChem CID116978853
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one
SMILESCC1CN(CCC(C)(C)N)C(=O)N1
InChIInChI=1S/C9H19N3O/c1-7-6-12(8(13)11-7)5-4-9(2,3)10/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyZYDWRAUOJBCRMP-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one
CID 116978849
1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one
CID 116978879
4-methyl-1-(3-oxobutyl)imidazolidin-2-one
CID 116980530
1-(hydroxymethyl)-4-methylimidazolidin-2-one
CID 19917368
4-methyl-1-(3-piperazin-1-ylpropyl)imidazolidin-2-one
CID 116980787
1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
CID 83817356
1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one
CID 116981657
1-(2-amino-2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
CID 116978490
1-(3-amino-3-methylbutyl)piperidin-3-ol
CID 82405665
3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
CID 83819144
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
CID 64681857
5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
CID 64977979

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one?
The IUPAC name of 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one (CID 116978853) is 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one is CC1CN(CCC(C)(C)N)C(=O)N1.
What is the InChIKey of 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one?
The InChIKey is ZYDWRAUOJBCRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-6-12(8(13)11-7)5-4-9(2,3)10/h7H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one?
1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 116978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).