N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine

C10H27N3O4P2 — CID 23264675

IUPACN-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine
SMILESCCOP(=O)(N=P(OCC)(N(C)C)N(C)C)OCC
InChIInChI=1S/C10H27N3O4P2/c1-8-15-18(12(4)5,13(6)7)11-19(14,16-9-2)17-10-3/h8-10H2,1-7H3
InChIKeyUQRYISQTUXQUAV-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.27
Rot. Bonds9

About N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine

N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 23264675) has the molecular formula C10H27N3O4P2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine
PubChem CID23264675
Molecular FormulaC10H27N3O4P2
Molecular Weight315.29 g/mol
Exact Mass315.15
IUPAC NameN-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine
SMILESCCOP(=O)(N=P(OCC)(N(C)C)N(C)C)OCC
InChIInChI=1S/C10H27N3O4P2/c1-8-15-18(12(4)5,13(6)7)11-19(14,16-9-2)17-10-3/h8-10H2,1-7H3
InChIKeyUQRYISQTUXQUAV-UHFFFAOYSA-N
XLogP3.27
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethylamino(ethoxy)phosphinate;tetramethylazanium
CID 22756504
ethyl (1E)-N-diethoxyphosphorylmethanimidate
CID 11127522
1-diethoxyphosphoryl-1-methylhydrazine
CID 10773763
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
CID 175738104
CID 175738104
azane;[dimethylamino(ethoxy)phosphoryl]formonitrile
CID 175744163
1-[bis(iodomethyl)phosphoryloxy]ethane
CID 28223
N-diethoxyphosphoryl-1,3-dithiolan-2-imine
CID 13689
2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
CID 12845692
CID 10609899
CID 10609899
(E)-N-diethoxyphosphoryl-1-(4-methylphenyl)methanimine
CID 24976772
CID 101187988
CID 101187988

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine (CID 23264675) is N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine is CCOP(=O)(N=P(OCC)(N(C)C)N(C)C)OCC.
What is the InChIKey of N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is UQRYISQTUXQUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O4P2/c1-8-15-18(12(4)5,13(6)7)11-19(14,16-9-2)17-10-3/h8-10H2,1-7H3.
What are the key properties of N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine?
N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 315.29 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphorylimino-(dimethylamino)-ethoxy-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 23264675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).