(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine

C13H25N4O5P — CID 5417930

IUPAC(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
SMILESO=P(/C(=N/O)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H25N4O5P/c18-14-13(15-1-7-20-8-2-15)23(19,16-3-9-21-10-4-16)17-5-11-22-12-6-17/h18H,1-12H2/b14-13+
InChIKeyXGDDEGGTVMIJMT-BUHFOSPRSA-N
MW348.34 g/mol
LogP-0.08
Rot. Bonds3

About (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine

(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine (PubChem CID 5417930) has the molecular formula C13H25N4O5P and a molecular weight of 348.34 g/mol. Its IUPAC name is (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
PubChem CID5417930
Molecular FormulaC13H25N4O5P
Molecular Weight348.34 g/mol
Exact Mass348.16
IUPAC Name(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
SMILESO=P(/C(=N/O)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H25N4O5P/c18-14-13(15-1-7-20-8-2-15)23(19,16-3-9-21-10-4-16)17-5-11-22-12-6-17/h18H,1-12H2/b14-13+
InChIKeyXGDDEGGTVMIJMT-BUHFOSPRSA-N
XLogP-0.08
TPSA87.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
CID 15685821
dimorpholin-4-ylphosphinic acid
CID 4193589
N-hydroxy-2-morpholin-4-yl-2-oxoethanimidoyl chloride
CID 75088881
N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine
CID 5138034
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
CID 136747595
CID 136747595
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
CID 118496995
[(2S)-1,3-dimethylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 142300145
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine (CID 5417930) is (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine is O=P(/C(=N/O)N1CCOCC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine?
The InChIKey is XGDDEGGTVMIJMT-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25N4O5P/c18-14-13(15-1-7-20-8-2-15)23(19,16-3-9-21-10-4-16)17-5-11-22-12-6-17/h18H,1-12H2/b14-13+.
What are the key properties of (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine?
(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine has a molecular weight of 348.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 5417930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).