[3-(1-phenylpropyl)imidazol-4-yl]methanamine

C13H17N3 — CID 66151583

IUPAC[3-(1-phenylpropyl)imidazol-4-yl]methanamine
SMILESCCC(c1ccccc1)n1cncc1CN
InChIInChI=1S/C13H17N3/c1-2-13(11-6-4-3-5-7-11)16-10-15-9-12(16)8-14/h3-7,9-10,13H,2,8,14H2,1H3
InChIKeyLPPKOEAHNKTVIY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds4

About [3-(1-phenylpropyl)imidazol-4-yl]methanamine

[3-(1-phenylpropyl)imidazol-4-yl]methanamine (PubChem CID 66151583) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [3-(1-phenylpropyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1-phenylpropyl)imidazol-4-yl]methanamine
PubChem CID66151583
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[3-(1-phenylpropyl)imidazol-4-yl]methanamine
SMILESCCC(c1ccccc1)n1cncc1CN
InChIInChI=1S/C13H17N3/c1-2-13(11-6-4-3-5-7-11)16-10-15-9-12(16)8-14/h3-7,9-10,13H,2,8,14H2,1H3
InChIKeyLPPKOEAHNKTVIY-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-phenylpropyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(1-phenylpropyl)imidazol-4-yl]methanamine (CID 66151583) is [3-(1-phenylpropyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(1-phenylpropyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(1-phenylpropyl)imidazol-4-yl]methanamine is CCC(c1ccccc1)n1cncc1CN.
What is the InChIKey of [3-(1-phenylpropyl)imidazol-4-yl]methanamine?
The InChIKey is LPPKOEAHNKTVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-13(11-6-4-3-5-7-11)16-10-15-9-12(16)8-14/h3-7,9-10,13H,2,8,14H2,1H3.
What are the key properties of [3-(1-phenylpropyl)imidazol-4-yl]methanamine?
[3-(1-phenylpropyl)imidazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-phenylpropyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 66151583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).