(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine

C23H31N2OP — CID 10883783

IUPAC(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
SMILESCCC[C@@H](/C=N/N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N2OP/c1-3-11-23(18-24-25-17-10-12-20(25)19-26-2)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,18,20,23H,3,10-12,17,19H2,1-2H3/b24-18+/t20-,23-/m0/s1
InChIKeyBSLOHHFPPZVQQU-ORZORADFSA-N
MW382.49 g/mol
LogP4.38
Rot. Bonds9

About (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine

(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine (PubChem CID 10883783) has the molecular formula C23H31N2OP and a molecular weight of 382.49 g/mol. Its IUPAC name is (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine.

Molecular Properties

Compound Name(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
PubChem CID10883783
Molecular FormulaC23H31N2OP
Molecular Weight382.49 g/mol
Exact Mass382.22
IUPAC Name(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
SMILESCCC[C@@H](/C=N/N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N2OP/c1-3-11-23(18-24-25-17-10-12-20(25)19-26-2)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,18,20,23H,3,10-12,17,19H2,1-2H3/b24-18+/t20-,23-/m0/s1
InChIKeyBSLOHHFPPZVQQU-ORZORADFSA-N
XLogP4.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 10927540
Hsjiotoydkzldb-jdbsloaxsa-
CID 15259745
(E)-2-diphenylphosphanyl-N-[2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 21635358
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
Pqxpsprfkcgfhz-lmfshbmrsa-
CID 21635403
Diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrrolidin-1-yl]phosphane
CID 70877081
CID 10862478
CID 10862478
(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
CID 10862479
CID 10883782
CID 10883782
(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 10925855
(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine
CID 10959617
CID 10960853
CID 10960853

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine?
The IUPAC name of (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine (CID 10883783) is (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine.
What is the SMILES notation for (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine?
The canonical SMILES for (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine is CCC[C@@H](/C=N/N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine?
The InChIKey is BSLOHHFPPZVQQU-ORZORADFSA-N. The full InChI is InChI=1S/C23H31N2OP/c1-3-11-23(18-24-25-17-10-12-20(25)19-26-2)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,18,20,23H,3,10-12,17,19H2,1-2H3/b24-18+/t20-,23-/m0/s1.
What are the key properties of (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine?
(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine has a molecular weight of 382.49 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine is sourced from PubChem (CID 10883783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).