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

C13H23N3 — CID 62218648

IUPAC2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)(C)C)nc(C2CC2)c1N
InChIInChI=1S/C13H23N3/c1-5-8-16-11(14)10(9-6-7-9)15-12(16)13(2,3)4/h9H,5-8,14H2,1-4H3
InChIKeyUXQHYWSOVANBSB-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.05
Rot. Bonds3

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

2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine (PubChem CID 62218648) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine
PubChem CID62218648
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)(C)C)nc(C2CC2)c1N
InChIInChI=1S/C13H23N3/c1-5-8-16-11(14)10(9-6-7-9)15-12(16)13(2,3)4/h9H,5-8,14H2,1-4H3
InChIKeyUXQHYWSOVANBSB-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine (CID 62218648) is 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine is CCCn1c(C(C)(C)C)nc(C2CC2)c1N.
What is the InChIKey of 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine?
The InChIKey is UXQHYWSOVANBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-16-11(14)10(9-6-7-9)15-12(16)13(2,3)4/h9H,5-8,14H2,1-4H3.
What are the key properties of 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine?
2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine is sourced from PubChem (CID 62218648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).