4-phenyl-N-propylbutan-2-imine

C13H19N — CID 101462899

IUPAC4-phenyl-N-propylbutan-2-imine
SMILESCCC/N=C(\C)CCc1ccccc1
InChIInChI=1S/C13H19N/c1-3-11-14-12(2)9-10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3/b14-12+
InChIKeyOWXZJMVYZXFEAR-WYMLVPIESA-N
MW189.30 g/mol
LogP3.49
Rot. Bonds5

About 4-phenyl-N-propylbutan-2-imine

4-phenyl-N-propylbutan-2-imine (PubChem CID 101462899) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-phenyl-N-propylbutan-2-imine.

Molecular Properties

Compound Name4-phenyl-N-propylbutan-2-imine
PubChem CID101462899
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-phenyl-N-propylbutan-2-imine
SMILESCCC/N=C(\C)CCc1ccccc1
InChIInChI=1S/C13H19N/c1-3-11-14-12(2)9-10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3/b14-12+
InChIKeyOWXZJMVYZXFEAR-WYMLVPIESA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.49
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 4-phenyl-N-propylbutan-2-imine?
The IUPAC name of 4-phenyl-N-propylbutan-2-imine (CID 101462899) is 4-phenyl-N-propylbutan-2-imine.
What is the SMILES notation for 4-phenyl-N-propylbutan-2-imine?
The canonical SMILES for 4-phenyl-N-propylbutan-2-imine is CCC/N=C(\C)CCc1ccccc1.
What is the InChIKey of 4-phenyl-N-propylbutan-2-imine?
The InChIKey is OWXZJMVYZXFEAR-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-14-12(2)9-10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3/b14-12+.
What are the key properties of 4-phenyl-N-propylbutan-2-imine?
4-phenyl-N-propylbutan-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propylbutan-2-imine is sourced from PubChem (CID 101462899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).