5-heptyl-3-methylimidazol-4-amine

C11H21N3 — CID 62081508

IUPAC5-heptyl-3-methylimidazol-4-amine
SMILESCCCCCCCc1ncn(C)c1N
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-8-10-11(12)14(2)9-13-10/h9H,3-8,12H2,1-2H3
InChIKeyHOJZWPQRSOSBJT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.52
Rot. Bonds6

About 5-heptyl-3-methylimidazol-4-amine

5-heptyl-3-methylimidazol-4-amine (PubChem CID 62081508) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-heptyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-heptyl-3-methylimidazol-4-amine
PubChem CID62081508
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-heptyl-3-methylimidazol-4-amine
SMILESCCCCCCCc1ncn(C)c1N
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-8-10-11(12)14(2)9-13-10/h9H,3-8,12H2,1-2H3
InChIKeyHOJZWPQRSOSBJT-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-heptyl-3-methylimidazol-4-amine?
The IUPAC name of 5-heptyl-3-methylimidazol-4-amine (CID 62081508) is 5-heptyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-heptyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-heptyl-3-methylimidazol-4-amine is CCCCCCCc1ncn(C)c1N.
What is the InChIKey of 5-heptyl-3-methylimidazol-4-amine?
The InChIKey is HOJZWPQRSOSBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-7-8-10-11(12)14(2)9-13-10/h9H,3-8,12H2,1-2H3.
What are the key properties of 5-heptyl-3-methylimidazol-4-amine?
5-heptyl-3-methylimidazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-3-methylimidazol-4-amine is sourced from PubChem (CID 62081508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).