2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine

C9H17N3 — CID 79395187

IUPAC2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
SMILESCC(C)c1cnc(C(C)CN)[nH]1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-11-9(12-8)7(3)4-10/h5-7H,4,10H2,1-3H3,(H,11,12)
InChIKeyIBPUFNJMRSLMCK-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.60
Rot. Bonds3

About 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine

2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine (PubChem CID 79395187) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
PubChem CID79395187
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
SMILESCC(C)c1cnc(C(C)CN)[nH]1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-11-9(12-8)7(3)4-10/h5-7H,4,10H2,1-3H3,(H,11,12)
InChIKeyIBPUFNJMRSLMCK-UHFFFAOYSA-N
XLogP1.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine (CID 79395187) is 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine is CC(C)c1cnc(C(C)CN)[nH]1.
What is the InChIKey of 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine?
The InChIKey is IBPUFNJMRSLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-5-11-9(12-8)7(3)4-10/h5-7H,4,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine?
2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 79395187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).