(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine

C27H32NOP — CID 44592612

IUPAC(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine
SMILESCCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32NOP/c1-3-5-16-23(15-4-2)27(24-17-9-6-10-18-24)28-30(29,25-19-11-7-12-20-25)26-21-13-8-14-22-26/h6-14,16-22,27H,3-5,15H2,1-2H3,(H,28,29)/b23-16+/t27-/m1/s1
InChIKeyCCPGBBCLTGSJJF-IDGUORLLSA-N
MW417.53 g/mol
LogP6.77
Rot. Bonds10

About (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine

(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine (PubChem CID 44592612) has the molecular formula C27H32NOP and a molecular weight of 417.53 g/mol. Its IUPAC name is (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine.

Molecular Properties

Compound Name(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine
PubChem CID44592612
Molecular FormulaC27H32NOP
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine
SMILESCCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32NOP/c1-3-5-16-23(15-4-2)27(24-17-9-6-10-18-24)28-30(29,25-19-11-7-12-20-25)26-21-13-8-14-22-26/h6-14,16-22,27H,3-5,15H2,1-2H3,(H,28,29)/b23-16+/t27-/m1/s1
InChIKeyCCPGBBCLTGSJJF-IDGUORLLSA-N
XLogP6.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-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 (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine?
The IUPAC name of (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine (CID 44592612) is (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine.
What is the SMILES notation for (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine?
The canonical SMILES for (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine is CCC/C=C(\CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine?
The InChIKey is CCPGBBCLTGSJJF-IDGUORLLSA-N. The full InChI is InChI=1S/C27H32NOP/c1-3-5-16-23(15-4-2)27(24-17-9-6-10-18-24)28-30(29,25-19-11-7-12-20-25)26-21-13-8-14-22-26/h6-14,16-22,27H,3-5,15H2,1-2H3,(H,28,29)/b23-16+/t27-/m1/s1.
What are the key properties of (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine?
(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine has a molecular weight of 417.53 g/mol, XLogP of 6.77, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine is sourced from PubChem (CID 44592612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).