5-butyl-2-ethyl-3-methylimidazol-4-amine

C10H19N3 — CID 62225832

IUPAC5-butyl-2-ethyl-3-methylimidazol-4-amine
SMILESCCCCc1nc(CC)n(C)c1N
InChIInChI=1S/C10H19N3/c1-4-6-7-8-10(11)13(3)9(5-2)12-8/h4-7,11H2,1-3H3
InChIKeyUQTDISHEFOHJGJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds4

About 5-butyl-2-ethyl-3-methylimidazol-4-amine

5-butyl-2-ethyl-3-methylimidazol-4-amine (PubChem CID 62225832) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-butyl-2-ethyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-butyl-2-ethyl-3-methylimidazol-4-amine
PubChem CID62225832
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-butyl-2-ethyl-3-methylimidazol-4-amine
SMILESCCCCc1nc(CC)n(C)c1N
InChIInChI=1S/C10H19N3/c1-4-6-7-8-10(11)13(3)9(5-2)12-8/h4-7,11H2,1-3H3
InChIKeyUQTDISHEFOHJGJ-UHFFFAOYSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-3-methylimidazol-4-amine?
The IUPAC name of 5-butyl-2-ethyl-3-methylimidazol-4-amine (CID 62225832) is 5-butyl-2-ethyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-butyl-2-ethyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-butyl-2-ethyl-3-methylimidazol-4-amine is CCCCc1nc(CC)n(C)c1N.
What is the InChIKey of 5-butyl-2-ethyl-3-methylimidazol-4-amine?
The InChIKey is UQTDISHEFOHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-6-7-8-10(11)13(3)9(5-2)12-8/h4-7,11H2,1-3H3.
What are the key properties of 5-butyl-2-ethyl-3-methylimidazol-4-amine?
5-butyl-2-ethyl-3-methylimidazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-3-methylimidazol-4-amine is sourced from PubChem (CID 62225832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).