3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine

C10H19N3 — CID 84658193

IUPAC3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(C)Cc1cnc(CCCN)[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)6-9-7-12-10(13-9)4-3-5-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyVMNUMJSCFYFWAT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.50
Rot. Bonds5

About 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 84658193) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID84658193
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(C)Cc1cnc(CCCN)[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)6-9-7-12-10(13-9)4-3-5-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyVMNUMJSCFYFWAT-UHFFFAOYSA-N
XLogP1.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine (CID 84658193) is 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine is CC(C)Cc1cnc(CCCN)[nH]1.
What is the InChIKey of 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is VMNUMJSCFYFWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)6-9-7-12-10(13-9)4-3-5-11/h7-8H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 84658193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).