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

C10H19N3 — CID 62218986

IUPAC2-tert-butyl-5-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(C(C)(C)C)n(C)c1N
InChIInChI=1S/C10H19N3/c1-6-7-8(11)13(5)9(12-7)10(2,3)4/h6,11H2,1-5H3
InChIKeySBHBSEUEWOBYOA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds1

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

2-tert-butyl-5-ethyl-3-methylimidazol-4-amine (PubChem CID 62218986) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-3-methylimidazol-4-amine
PubChem CID62218986
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-tert-butyl-5-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(C(C)(C)C)n(C)c1N
InChIInChI=1S/C10H19N3/c1-6-7-8(11)13(5)9(12-7)10(2,3)4/h6,11H2,1-5H3
InChIKeySBHBSEUEWOBYOA-UHFFFAOYSA-N
XLogP1.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine (CID 62218986) is 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine is CCc1nc(C(C)(C)C)n(C)c1N.
What is the InChIKey of 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine?
The InChIKey is SBHBSEUEWOBYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-7-8(11)13(5)9(12-7)10(2,3)4/h6,11H2,1-5H3.
What are the key properties of 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine?
2-tert-butyl-5-ethyl-3-methylimidazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-3-methylimidazol-4-amine is sourced from PubChem (CID 62218986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).