N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine

C24H32NO3P — CID 11058740

IUPACN-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine
SMILESCCOP(=O)(OCC)C(N=C(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H32NO3P/c1-3-27-29(26,28-4-2)24(22-18-12-7-13-19-22)25-23(20-14-8-5-9-15-20)21-16-10-6-11-17-21/h5-6,8-11,14-17,22,24H,3-4,7,12-13,18-19H2,1-2H3
InChIKeyKCRATSJLITYKLO-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.70
Rot. Bonds9

About N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine

N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine (PubChem CID 11058740) has the molecular formula C24H32NO3P and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine
PubChem CID11058740
Molecular FormulaC24H32NO3P
Molecular Weight413.50 g/mol
Exact Mass413.21
IUPAC NameN-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine
SMILESCCOP(=O)(OCC)C(N=C(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H32NO3P/c1-3-27-29(26,28-4-2)24(22-18-12-7-13-19-22)25-23(20-14-8-5-9-15-20)21-16-10-6-11-17-21/h5-6,8-11,14-17,22,24H,3-4,7,12-13,18-19H2,1-2H3
InChIKeyKCRATSJLITYKLO-UHFFFAOYSA-N
XLogP6.70
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-1-diethoxyphosphorylpropyl)-1,1-diphenylmethanimine
CID 101160182
(3R)-3-cyclohexyl-3-diethoxyphosphorylsulfanyl-1-phenylpropan-1-one
CID 134845738
(2R,4S)-4-(benzhydrylideneamino)-4-diethoxyphosphoryl-2-methylbutanenitrile
CID 53349146
ethyl 4-(benzhydrylideneamino)-4-diethoxyphosphorylbutanoate
CID 11102075
1-[(1S)-1-cyclohexylethyl]-3-[diethoxyphosphoryl(phenyl)methyl]thiourea
CID 25223659
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
CID 142714255
methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate
CID 164888049
methyl (2S,3R)-2-(benzhydrylideneamino)-4,4-bis(diethoxyphosphoryl)-3-(4-methylphenyl)butanoate
CID 122216670
2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide
CID 155931459
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine (CID 11058740) is N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine is CCOP(=O)(OCC)C(N=C(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine?
The InChIKey is KCRATSJLITYKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32NO3P/c1-3-27-29(26,28-4-2)24(22-18-12-7-13-19-22)25-23(20-14-8-5-9-15-20)21-16-10-6-11-17-21/h5-6,8-11,14-17,22,24H,3-4,7,12-13,18-19H2,1-2H3.
What are the key properties of N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine?
N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine has a molecular weight of 413.50 g/mol, XLogP of 6.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(diethoxyphosphoryl)methyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 11058740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).