(E)-N-diphenylphosphorylheptan-1-imine

C19H24NOP — CID 134884295

IUPAC(E)-N-diphenylphosphorylheptan-1-imine
SMILESCCCCCC/C=N/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NOP/c1-2-3-4-5-12-17-20-22(21,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-17H,2-5,12H2,1H3/b20-17+
InChIKeyNDQSXYBALTUPPC-LVZFUZTISA-N
MW313.38 g/mol
LogP4.96
Rot. Bonds8

About (E)-N-diphenylphosphorylheptan-1-imine

(E)-N-diphenylphosphorylheptan-1-imine (PubChem CID 134884295) has the molecular formula C19H24NOP and a molecular weight of 313.38 g/mol. Its IUPAC name is (E)-N-diphenylphosphorylheptan-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphorylheptan-1-imine
PubChem CID134884295
Molecular FormulaC19H24NOP
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(E)-N-diphenylphosphorylheptan-1-imine
SMILESCCCCCC/C=N/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NOP/c1-2-3-4-5-12-17-20-22(21,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-17H,2-5,12H2,1H3/b20-17+
InChIKeyNDQSXYBALTUPPC-LVZFUZTISA-N
XLogP4.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-4-methylpentan-1-imine
CID 161183849
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
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[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
N-benzyldecan-1-imine
CID 11276634
non-3-enylidene(triphenyl)-λ5-phosphane
CID 57280136
2-(heptylideneamino)benzoic acid
CID 24833810
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
N-decylidenebenzamide
CID 90984528
oct-1-enylbenzene;phosphoric acid
CID 159316508
2-hydroxynon-2-enoic acid;phenol;phosphoric acid
CID 174872758

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphorylheptan-1-imine?
The IUPAC name of (E)-N-diphenylphosphorylheptan-1-imine (CID 134884295) is (E)-N-diphenylphosphorylheptan-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphorylheptan-1-imine?
The canonical SMILES for (E)-N-diphenylphosphorylheptan-1-imine is CCCCCC/C=N/P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphorylheptan-1-imine?
The InChIKey is NDQSXYBALTUPPC-LVZFUZTISA-N. The full InChI is InChI=1S/C19H24NOP/c1-2-3-4-5-12-17-20-22(21,18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-17H,2-5,12H2,1H3/b20-17+.
What are the key properties of (E)-N-diphenylphosphorylheptan-1-imine?
(E)-N-diphenylphosphorylheptan-1-imine has a molecular weight of 313.38 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphorylheptan-1-imine is sourced from PubChem (CID 134884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).