1-(5-aminohexyl)-3-methylimidazol-2-one

C10H19N3O — CID 80580709

IUPAC1-(5-aminohexyl)-3-methylimidazol-2-one
SMILESCC(N)CCCCn1ccn(C)c1=O
InChIInChI=1S/C10H19N3O/c1-9(11)5-3-4-6-13-8-7-12(2)10(13)14/h7-9H,3-6,11H2,1-2H3
InChIKeyQDOHQUOZLBFIIX-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.70
Rot. Bonds5

About 1-(5-aminohexyl)-3-methylimidazol-2-one

1-(5-aminohexyl)-3-methylimidazol-2-one (PubChem CID 80580709) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-aminohexyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(5-aminohexyl)-3-methylimidazol-2-one
PubChem CID80580709
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(5-aminohexyl)-3-methylimidazol-2-one
SMILESCC(N)CCCCn1ccn(C)c1=O
InChIInChI=1S/C10H19N3O/c1-9(11)5-3-4-6-13-8-7-12(2)10(13)14/h7-9H,3-6,11H2,1-2H3
InChIKeyQDOHQUOZLBFIIX-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminohexyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(5-aminohexyl)-3-methylimidazol-2-one (CID 80580709) is 1-(5-aminohexyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(5-aminohexyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(5-aminohexyl)-3-methylimidazol-2-one is CC(N)CCCCn1ccn(C)c1=O.
What is the InChIKey of 1-(5-aminohexyl)-3-methylimidazol-2-one?
The InChIKey is QDOHQUOZLBFIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(11)5-3-4-6-13-8-7-12(2)10(13)14/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 1-(5-aminohexyl)-3-methylimidazol-2-one?
1-(5-aminohexyl)-3-methylimidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminohexyl)-3-methylimidazol-2-one is sourced from PubChem (CID 80580709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).