2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine

C12H21N3 — CID 62219711

IUPAC2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine
SMILESCCc1nc(C(C)(C)C)n(C2CC2)c1N
InChIInChI=1S/C12H21N3/c1-5-9-10(13)15(8-6-7-8)11(14-9)12(2,3)4/h8H,5-7,13H2,1-4H3
InChIKeyWLEUZWZTADSUBF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.66
Rot. Bonds2

About 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine

2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine (PubChem CID 62219711) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine
PubChem CID62219711
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine
SMILESCCc1nc(C(C)(C)C)n(C2CC2)c1N
InChIInChI=1S/C12H21N3/c1-5-9-10(13)15(8-6-7-8)11(14-9)12(2,3)4/h8H,5-7,13H2,1-4H3
InChIKeyWLEUZWZTADSUBF-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine 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-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine (CID 62219711) is 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine is CCc1nc(C(C)(C)C)n(C2CC2)c1N.
What is the InChIKey of 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine?
The InChIKey is WLEUZWZTADSUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-9-10(13)15(8-6-7-8)11(14-9)12(2,3)4/h8H,5-7,13H2,1-4H3.
What are the key properties of 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine?
2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-cyclopropyl-5-ethylimidazol-4-amine is sourced from PubChem (CID 62219711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).