2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine

C10H19N3 — CID 67019331

IUPAC2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(C)C(C)n1cnc(CCN)c1
InChIInChI=1S/C10H19N3/c1-8(2)9(3)13-6-10(4-5-11)12-7-13/h6-9H,4-5,11H2,1-3H3
InChIKeyIFGSEQPRBLJBHN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine

2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 67019331) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine
PubChem CID67019331
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(C)C(C)n1cnc(CCN)c1
InChIInChI=1S/C10H19N3/c1-8(2)9(3)13-6-10(4-5-11)12-7-13/h6-9H,4-5,11H2,1-3H3
InChIKeyIFGSEQPRBLJBHN-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine (CID 67019331) is 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine is CC(C)C(C)n1cnc(CCN)c1.
What is the InChIKey of 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is IFGSEQPRBLJBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9(3)13-6-10(4-5-11)12-7-13/h6-9H,4-5,11H2,1-3H3.
What are the key properties of 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine?
2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 67019331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).