3-dicyclohexylphosphanyl-N-phenylpropan-1-imine

C21H32NP — CID 67580139

IUPAC3-dicyclohexylphosphanyl-N-phenylpropan-1-imine
SMILESC(\CCP(C1CCCCC1)C1CCCCC1)=N/c1ccccc1
InChIInChI=1S/C21H32NP/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1,4-5,11-12,17,20-21H,2-3,6-10,13-16,18H2/b22-17+
InChIKeyUOZWXASDMSASFV-OQKWZONESA-N
MW329.47 g/mol
LogP6.93
Rot. Bonds6

About 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine

3-dicyclohexylphosphanyl-N-phenylpropan-1-imine (PubChem CID 67580139) has the molecular formula C21H32NP and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine.

Molecular Properties

Compound Name3-dicyclohexylphosphanyl-N-phenylpropan-1-imine
PubChem CID67580139
Molecular FormulaC21H32NP
Molecular Weight329.47 g/mol
Exact Mass329.23
IUPAC Name3-dicyclohexylphosphanyl-N-phenylpropan-1-imine
SMILESC(\CCP(C1CCCCC1)C1CCCCC1)=N/c1ccccc1
InChIInChI=1S/C21H32NP/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1,4-5,11-12,17,20-21H,2-3,6-10,13-16,18H2/b22-17+
InChIKeyUOZWXASDMSASFV-OQKWZONESA-N
XLogP6.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine?
The IUPAC name of 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine (CID 67580139) is 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine.
What is the SMILES notation for 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine?
The canonical SMILES for 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine is C(\CCP(C1CCCCC1)C1CCCCC1)=N/c1ccccc1.
What is the InChIKey of 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine?
The InChIKey is UOZWXASDMSASFV-OQKWZONESA-N. The full InChI is InChI=1S/C21H32NP/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1,4-5,11-12,17,20-21H,2-3,6-10,13-16,18H2/b22-17+.
What are the key properties of 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine?
3-dicyclohexylphosphanyl-N-phenylpropan-1-imine has a molecular weight of 329.47 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dicyclohexylphosphanyl-N-phenylpropan-1-imine is sourced from PubChem (CID 67580139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).