5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine

C14H27N3 — CID 62221052

IUPAC5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(C(C)(C)C)c(N)n1CC(C)C
InChIInChI=1S/C14H27N3/c1-7-8-11-16-12(14(4,5)6)13(15)17(11)9-10(2)3/h10H,7-9,15H2,1-6H3
InChIKeyLCBOZISCDRZCLV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.37
Rot. Bonds4

About 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine

5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine (PubChem CID 62221052) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine
PubChem CID62221052
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(C(C)(C)C)c(N)n1CC(C)C
InChIInChI=1S/C14H27N3/c1-7-8-11-16-12(14(4,5)6)13(15)17(11)9-10(2)3/h10H,7-9,15H2,1-6H3
InChIKeyLCBOZISCDRZCLV-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The IUPAC name of 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine (CID 62221052) is 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The canonical SMILES for 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine is CCCc1nc(C(C)(C)C)c(N)n1CC(C)C.
What is the InChIKey of 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The InChIKey is LCBOZISCDRZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-8-11-16-12(14(4,5)6)13(15)17(11)9-10(2)3/h10H,7-9,15H2,1-6H3.
What are the key properties of 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine?
5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 62221052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).