2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine

C28H39NP2 — CID 122386943

IUPAC2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine
SMILESC(\CP(C1CCCCC1)C1CCCCC1)=N/CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39NP2/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-2,5-8,13-16,22,27-28H,3-4,9-12,17-21,23-24H2/b29-22+
InChIKeyCJRTXHSOXHEXSD-QUPMIFSKSA-N
MW451.58 g/mol
LogP7.34
Rot. Bonds9

About 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine

2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine (PubChem CID 122386943) has the molecular formula C28H39NP2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine.

Molecular Properties

Compound Name2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine
PubChem CID122386943
Molecular FormulaC28H39NP2
Molecular Weight451.58 g/mol
Exact Mass451.26
IUPAC Name2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine
SMILESC(\CP(C1CCCCC1)C1CCCCC1)=N/CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39NP2/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-2,5-8,13-16,22,27-28H,3-4,9-12,17-21,23-24H2/b29-22+
InChIKeyCJRTXHSOXHEXSD-QUPMIFSKSA-N
XLogP7.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.58
LogP ≤ 57.34
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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Related Compounds

3-dicyclohexylphosphanyl-N-phenylpropan-1-imine
CID 67580139
cyclohexyl-phenyl-[4-[4-[phenyl(propyl)phosphanyl]phenyl]phenyl]phosphane
CID 167282833
cyclononyl(diphenyl)phosphane
CID 70908257
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
dicyclohexyl-[5-(2-diphenylphosphanylethyl)cyclopenta-1,4-dien-1-yl]phosphane
CID 101248418
1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine
CID 122654232
3-cyclohexylbutyl(diphenyl)phosphane
CID 53471136
CID 89375830
CID 89375830
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)
CID 23229290

Frequently Asked Questions

What is the IUPAC name of 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine?
The IUPAC name of 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine (CID 122386943) is 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine.
What is the SMILES notation for 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine?
The canonical SMILES for 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine is C(\CP(C1CCCCC1)C1CCCCC1)=N/CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine?
The InChIKey is CJRTXHSOXHEXSD-QUPMIFSKSA-N. The full InChI is InChI=1S/C28H39NP2/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-2,5-8,13-16,22,27-28H,3-4,9-12,17-21,23-24H2/b29-22+.
What are the key properties of 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine?
2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine has a molecular weight of 451.58 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dicyclohexylphosphanyl-N-(2-diphenylphosphanylethyl)ethanimine is sourced from PubChem (CID 122386943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).