1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one

C10H19N3O — CID 80579448

IUPAC1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one
SMILESCC(CN)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H19N3O/c1-8(2)13-5-4-12(10(13)14)7-9(3)6-11/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyLPWHKLSYIJPNIP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.83
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one

1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80579448) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one
PubChem CID80579448
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one
SMILESCC(CN)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C10H19N3O/c1-8(2)13-5-4-12(10(13)14)7-9(3)6-11/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyLPWHKLSYIJPNIP-UHFFFAOYSA-N
XLogP0.83
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.83
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-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one (CID 80579448) is 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one is CC(CN)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is LPWHKLSYIJPNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)13-5-4-12(10(13)14)7-9(3)6-11/h4-5,8-9H,6-7,11H2,1-3H3.
What are the key properties of 1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one?
1-(3-amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.83, 4 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-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80579448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).