2,5-di(propan-2-yl)imidazol-1-amine

C9H17N3 — CID 126670780

IUPAC2,5-di(propan-2-yl)imidazol-1-amine
SMILESCC(C)c1cnc(C(C)C)n1N
InChIInChI=1S/C9H17N3/c1-6(2)8-5-11-9(7(3)4)12(8)10/h5-7H,10H2,1-4H3
InChIKeyYMMQFOAXLBZRIB-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.84
Rot. Bonds2

About 2,5-di(propan-2-yl)imidazol-1-amine

2,5-di(propan-2-yl)imidazol-1-amine (PubChem CID 126670780) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)imidazol-1-amine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)imidazol-1-amine
PubChem CID126670780
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2,5-di(propan-2-yl)imidazol-1-amine
SMILESCC(C)c1cnc(C(C)C)n1N
InChIInChI=1S/C9H17N3/c1-6(2)8-5-11-9(7(3)4)12(8)10/h5-7H,10H2,1-4H3
InChIKeyYMMQFOAXLBZRIB-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)imidazol-1-amine?
The IUPAC name of 2,5-di(propan-2-yl)imidazol-1-amine (CID 126670780) is 2,5-di(propan-2-yl)imidazol-1-amine.
What is the SMILES notation for 2,5-di(propan-2-yl)imidazol-1-amine?
The canonical SMILES for 2,5-di(propan-2-yl)imidazol-1-amine is CC(C)c1cnc(C(C)C)n1N.
What is the InChIKey of 2,5-di(propan-2-yl)imidazol-1-amine?
The InChIKey is YMMQFOAXLBZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-5-11-9(7(3)4)12(8)10/h5-7H,10H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)imidazol-1-amine?
2,5-di(propan-2-yl)imidazol-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)imidazol-1-amine is sourced from PubChem (CID 126670780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).