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

C11H19N3 — CID 62219710

IUPAC2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine
SMILESCc1nc(C(C)(C)C)n(C2CC2)c1N
InChIInChI=1S/C11H19N3/c1-7-9(12)14(8-5-6-8)10(13-7)11(2,3)4/h8H,5-6,12H2,1-4H3
InChIKeyPXHJROCTNFVDMJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds1

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

2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine (PubChem CID 62219710) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine
PubChem CID62219710
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine
SMILESCc1nc(C(C)(C)C)n(C2CC2)c1N
InChIInChI=1S/C11H19N3/c1-7-9(12)14(8-5-6-8)10(13-7)11(2,3)4/h8H,5-6,12H2,1-4H3
InChIKeyPXHJROCTNFVDMJ-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine (CID 62219710) is 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine is Cc1nc(C(C)(C)C)n(C2CC2)c1N.
What is the InChIKey of 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine?
The InChIKey is PXHJROCTNFVDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7-9(12)14(8-5-6-8)10(13-7)11(2,3)4/h8H,5-6,12H2,1-4H3.
What are the key properties of 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine?
2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-cyclopropyl-5-methylimidazol-4-amine is sourced from PubChem (CID 62219710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).