3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine

C14H27N3 — CID 62219908

IUPAC3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine
SMILESCCCCCc1nc(CC)n(C(C)(C)C)c1N
InChIInChI=1S/C14H27N3/c1-6-8-9-10-11-13(15)17(14(3,4)5)12(7-2)16-11/h6-10,15H2,1-5H3
InChIKeyYGNQBBGVLKNVMX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.52
Rot. Bonds5

About 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine

3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine (PubChem CID 62219908) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine
PubChem CID62219908
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine
SMILESCCCCCc1nc(CC)n(C(C)(C)C)c1N
InChIInChI=1S/C14H27N3/c1-6-8-9-10-11-13(15)17(14(3,4)5)12(7-2)16-11/h6-10,15H2,1-5H3
InChIKeyYGNQBBGVLKNVMX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine (CID 62219908) is 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine is CCCCCc1nc(CC)n(C(C)(C)C)c1N.
What is the InChIKey of 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine?
The InChIKey is YGNQBBGVLKNVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-9-10-11-13(15)17(14(3,4)5)12(7-2)16-11/h6-10,15H2,1-5H3.
What are the key properties of 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine?
3-tert-butyl-2-ethyl-5-pentylimidazol-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 3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine is sourced from PubChem (CID 62219908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).