5-butyl-3-propan-2-yl-2-propylimidazol-4-amine

C13H25N3 — CID 62220670

IUPAC5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCCc1nc(CCC)n(C(C)C)c1N
InChIInChI=1S/C13H25N3/c1-5-7-9-11-13(14)16(10(3)4)12(15-11)8-6-2/h10H,5-9,14H2,1-4H3
InChIKeyYXLGMOQNSHRKTE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.34
Rot. Bonds6

About 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine

5-butyl-3-propan-2-yl-2-propylimidazol-4-amine (PubChem CID 62220670) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
PubChem CID62220670
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCCc1nc(CCC)n(C(C)C)c1N
InChIInChI=1S/C13H25N3/c1-5-7-9-11-13(14)16(10(3)4)12(15-11)8-6-2/h10H,5-9,14H2,1-4H3
InChIKeyYXLGMOQNSHRKTE-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine?
The IUPAC name of 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine (CID 62220670) is 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine?
The canonical SMILES for 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine is CCCCc1nc(CCC)n(C(C)C)c1N.
What is the InChIKey of 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine?
The InChIKey is YXLGMOQNSHRKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-9-11-13(14)16(10(3)4)12(15-11)8-6-2/h10H,5-9,14H2,1-4H3.
What are the key properties of 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine?
5-butyl-3-propan-2-yl-2-propylimidazol-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-propan-2-yl-2-propylimidazol-4-amine is sourced from PubChem (CID 62220670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).