1-(4-methoxybutyl)imidazol-4-amine

C8H15N3O — CID 165473634

IUPAC1-(4-methoxybutyl)imidazol-4-amine
SMILESCOCCCCn1cnc(N)c1
InChIInChI=1S/C8H15N3O/c1-12-5-3-2-4-11-6-8(9)10-7-11/h6-7H,2-5,9H2,1H3
InChIKeyLJBLZVYBPKCYCO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.89
Rot. Bonds5

About 1-(4-methoxybutyl)imidazol-4-amine

1-(4-methoxybutyl)imidazol-4-amine (PubChem CID 165473634) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(4-methoxybutyl)imidazol-4-amine.

Molecular Properties

Compound Name1-(4-methoxybutyl)imidazol-4-amine
PubChem CID165473634
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(4-methoxybutyl)imidazol-4-amine
SMILESCOCCCCn1cnc(N)c1
InChIInChI=1S/C8H15N3O/c1-12-5-3-2-4-11-6-8(9)10-7-11/h6-7H,2-5,9H2,1H3
InChIKeyLJBLZVYBPKCYCO-UHFFFAOYSA-N
XLogP0.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.89
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-(4-methoxybutyl)imidazol-4-amine?
The IUPAC name of 1-(4-methoxybutyl)imidazol-4-amine (CID 165473634) is 1-(4-methoxybutyl)imidazol-4-amine.
What is the SMILES notation for 1-(4-methoxybutyl)imidazol-4-amine?
The canonical SMILES for 1-(4-methoxybutyl)imidazol-4-amine is COCCCCn1cnc(N)c1.
What is the InChIKey of 1-(4-methoxybutyl)imidazol-4-amine?
The InChIKey is LJBLZVYBPKCYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-12-5-3-2-4-11-6-8(9)10-7-11/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(4-methoxybutyl)imidazol-4-amine?
1-(4-methoxybutyl)imidazol-4-amine has a molecular weight of 169.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)imidazol-4-amine is sourced from PubChem (CID 165473634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).