4-phenyl-N-propylhex-1-en-3-amine

C15H23N — CID 105000798

IUPAC4-phenyl-N-propylhex-1-en-3-amine
SMILESC=CC(NCCC)C(CC)c1ccccc1
InChIInChI=1S/C15H23N/c1-4-12-16-15(6-3)14(5-2)13-10-8-7-9-11-13/h6-11,14-16H,3-5,12H2,1-2H3
InChIKeyCFAWZKITZDYASJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.73
Rot. Bonds7

About 4-phenyl-N-propylhex-1-en-3-amine

4-phenyl-N-propylhex-1-en-3-amine (PubChem CID 105000798) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-phenyl-N-propylhex-1-en-3-amine.

Molecular Properties

Compound Name4-phenyl-N-propylhex-1-en-3-amine
PubChem CID105000798
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-phenyl-N-propylhex-1-en-3-amine
SMILESC=CC(NCCC)C(CC)c1ccccc1
InChIInChI=1S/C15H23N/c1-4-12-16-15(6-3)14(5-2)13-10-8-7-9-11-13/h6-11,14-16H,3-5,12H2,1-2H3
InChIKeyCFAWZKITZDYASJ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-propylhex-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propylhex-1-en-3-amine?
The IUPAC name of 4-phenyl-N-propylhex-1-en-3-amine (CID 105000798) is 4-phenyl-N-propylhex-1-en-3-amine.
What is the SMILES notation for 4-phenyl-N-propylhex-1-en-3-amine?
The canonical SMILES for 4-phenyl-N-propylhex-1-en-3-amine is C=CC(NCCC)C(CC)c1ccccc1.
What is the InChIKey of 4-phenyl-N-propylhex-1-en-3-amine?
The InChIKey is CFAWZKITZDYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-12-16-15(6-3)14(5-2)13-10-8-7-9-11-13/h6-11,14-16H,3-5,12H2,1-2H3.
What are the key properties of 4-phenyl-N-propylhex-1-en-3-amine?
4-phenyl-N-propylhex-1-en-3-amine has a molecular weight of 217.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propylhex-1-en-3-amine is sourced from PubChem (CID 105000798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).