1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one

C10H19N3O — CID 80579444

IUPAC1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(C)CN)c1=O
InChIInChI=1S/C10H19N3O/c1-3-4-12-5-6-13(10(12)14)8-9(2)7-11/h5-6,9H,3-4,7-8,11H2,1-2H3
InChIKeyYCAHOICEIJSOQZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.65
Rot. Bonds5

About 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one

1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one (PubChem CID 80579444) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one
PubChem CID80579444
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(C)CN)c1=O
InChIInChI=1S/C10H19N3O/c1-3-4-12-5-6-13(10(12)14)8-9(2)7-11/h5-6,9H,3-4,7-8,11H2,1-2H3
InChIKeyYCAHOICEIJSOQZ-UHFFFAOYSA-N
XLogP0.65
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one (CID 80579444) is 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one is CCCn1ccn(CC(C)CN)c1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one?
The InChIKey is YCAHOICEIJSOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-12-5-6-13(10(12)14)8-9(2)7-11/h5-6,9H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one?
1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80579444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).