3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine

C14H27N3 — CID 55048307

IUPAC3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine
SMILESCCCCn1c(CC)nc(C(C)CCC)c1N
InChIInChI=1S/C14H27N3/c1-5-8-10-17-12(7-3)16-13(14(17)15)11(4)9-6-2/h11H,5-10,15H2,1-4H3
InChIKeyXOECPYUKQMVJOR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.73
Rot. Bonds7

About 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine

3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine (PubChem CID 55048307) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine
PubChem CID55048307
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine
SMILESCCCCn1c(CC)nc(C(C)CCC)c1N
InChIInChI=1S/C14H27N3/c1-5-8-10-17-12(7-3)16-13(14(17)15)11(4)9-6-2/h11H,5-10,15H2,1-4H3
InChIKeyXOECPYUKQMVJOR-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine?
The IUPAC name of 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine (CID 55048307) is 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine?
The canonical SMILES for 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine is CCCCn1c(CC)nc(C(C)CCC)c1N.
What is the InChIKey of 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine?
The InChIKey is XOECPYUKQMVJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-10-17-12(7-3)16-13(14(17)15)11(4)9-6-2/h11H,5-10,15H2,1-4H3.
What are the key properties of 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine?
3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-5-pentan-2-ylimidazol-4-amine is sourced from PubChem (CID 55048307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).