1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one

C9H19N3O — CID 116981578

IUPAC1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
SMILESCC(N)CCN1CC(C)N(C)C1=O
InChIInChI=1S/C9H19N3O/c1-7(10)4-5-12-6-8(2)11(3)9(12)13/h7-8H,4-6,10H2,1-3H3
InChIKeyPEUGNQMWCTTXQG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds3

About 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one

1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one (PubChem CID 116981578) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
PubChem CID116981578
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
SMILESCC(N)CCN1CC(C)N(C)C1=O
InChIInChI=1S/C9H19N3O/c1-7(10)4-5-12-6-8(2)11(3)9(12)13/h7-8H,4-6,10H2,1-3H3
InChIKeyPEUGNQMWCTTXQG-UHFFFAOYSA-N
XLogP0.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one (CID 116981578) is 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one is CC(N)CCN1CC(C)N(C)C1=O.
What is the InChIKey of 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one?
The InChIKey is PEUGNQMWCTTXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)4-5-12-6-8(2)11(3)9(12)13/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one?
1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 116981578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).