1-phenyl-N-propylethanimine

C11H15N — CID 2755403

IUPAC1-phenyl-N-propylethanimine
SMILESCCC/N=C(\C)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3/b12-10+
InChIKeyGHGJQFURKUFFGL-ZRDIBKRKSA-N
MW161.25 g/mol
LogP2.91
Rot. Bonds3

About 1-phenyl-N-propylethanimine

1-phenyl-N-propylethanimine (PubChem CID 2755403) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-phenyl-N-propylethanimine.

Molecular Properties

Compound Name1-phenyl-N-propylethanimine
PubChem CID2755403
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-phenyl-N-propylethanimine
SMILESCCC/N=C(\C)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3/b12-10+
InChIKeyGHGJQFURKUFFGL-ZRDIBKRKSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propylethanimine?
The IUPAC name of 1-phenyl-N-propylethanimine (CID 2755403) is 1-phenyl-N-propylethanimine.
What is the SMILES notation for 1-phenyl-N-propylethanimine?
The canonical SMILES for 1-phenyl-N-propylethanimine is CCC/N=C(\C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-propylethanimine?
The InChIKey is GHGJQFURKUFFGL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3/b12-10+.
What are the key properties of 1-phenyl-N-propylethanimine?
1-phenyl-N-propylethanimine has a molecular weight of 161.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propylethanimine is sourced from PubChem (CID 2755403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).