5-butyl-3-tert-butyl-2-propylimidazol-4-amine

C14H27N3 — CID 62219587

IUPAC5-butyl-3-tert-butyl-2-propylimidazol-4-amine
SMILESCCCCc1nc(CCC)n(C(C)(C)C)c1N
InChIInChI=1S/C14H27N3/c1-6-8-10-11-13(15)17(14(3,4)5)12(16-11)9-7-2/h6-10,15H2,1-5H3
InChIKeyBMGYUKYNLNVGQP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.52
Rot. Bonds5

About 5-butyl-3-tert-butyl-2-propylimidazol-4-amine

5-butyl-3-tert-butyl-2-propylimidazol-4-amine (PubChem CID 62219587) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-butyl-3-tert-butyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-butyl-3-tert-butyl-2-propylimidazol-4-amine
PubChem CID62219587
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-butyl-3-tert-butyl-2-propylimidazol-4-amine
SMILESCCCCc1nc(CCC)n(C(C)(C)C)c1N
InChIInChI=1S/C14H27N3/c1-6-8-10-11-13(15)17(14(3,4)5)12(16-11)9-7-2/h6-10,15H2,1-5H3
InChIKeyBMGYUKYNLNVGQP-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-3-tert-butyl-2-propylimidazol-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

Related Compounds

3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine
CID 62219908
5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62220670
5-butyl-2-ethyl-3-methylimidazol-4-amine
CID 62225832
5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62221040
3-tert-butyl-5-(3,5-difluorophenyl)-2-propylimidazol-4-amine
CID 106531916
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
CID 62220679
4-tert-butyl-2-propylimidazole-1,5-diamine
CID 62506102
3-butyl-2-ethyl-5-heptylimidazol-4-amine
CID 63469087
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-propylimidazol-4-amine
CID 63469451
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62220138
2-tert-butyl-5-pentyl-3-propan-2-ylimidazol-4-amine
CID 62218298
3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine
CID 62220445

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-tert-butyl-2-propylimidazol-4-amine?
The IUPAC name of 5-butyl-3-tert-butyl-2-propylimidazol-4-amine (CID 62219587) is 5-butyl-3-tert-butyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-butyl-3-tert-butyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-butyl-3-tert-butyl-2-propylimidazol-4-amine is CCCCc1nc(CCC)n(C(C)(C)C)c1N.
What is the InChIKey of 5-butyl-3-tert-butyl-2-propylimidazol-4-amine?
The InChIKey is BMGYUKYNLNVGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-10-11-13(15)17(14(3,4)5)12(16-11)9-7-2/h6-10,15H2,1-5H3.
What are the key properties of 5-butyl-3-tert-butyl-2-propylimidazol-4-amine?
5-butyl-3-tert-butyl-2-propylimidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-tert-butyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62219587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).