(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium

C8H20NO3P2+ — CID 90958490

IUPAC(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CNCP(=O)(OCC)OCC
InChIInChI=1S/C8H20NO3P2/c1-5-11-14(10,12-6-2)8-9-7-13(3)4/h9H,3,5-8H2,1-2,4H3/q+1
InChIKeyAVBBRKJWGUDFRZ-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.30
Rot. Bonds8

About (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium

(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium (PubChem CID 90958490) has the molecular formula C8H20NO3P2+ and a molecular weight of 240.20 g/mol. Its IUPAC name is (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium.

Molecular Properties

Compound Name(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium
PubChem CID90958490
Molecular FormulaC8H20NO3P2+
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Name(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium
SMILESC=[P+](C)CNCP(=O)(OCC)OCC
InChIInChI=1S/C8H20NO3P2/c1-5-11-14(10,12-6-2)8-9-7-13(3)4/h9H,3,5-8H2,1-2,4H3/q+1
InChIKeyAVBBRKJWGUDFRZ-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(diethoxyphosphorylmethyl)butan-1-amine
CID 2189462
N-(diethoxyphosphorylmethyl)prop-2-en-1-amine
CID 5173430
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
O-[ethoxy-[2-(methylamino)ethyl]phosphoryl]hydroxylamine;hydrochloride
CID 173210989
3-diethoxyphosphorylprop-1-ene
CID 573014
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
bis[[ethoxy(ethyl)phosphoryl]oxy]-oxophosphanium
CID 155345155
1-diethoxyphosphoryldecane
CID 2773697

Frequently Asked Questions

What is the IUPAC name of (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium?
The IUPAC name of (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium (CID 90958490) is (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium.
What is the SMILES notation for (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium?
The canonical SMILES for (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium is C=[P+](C)CNCP(=O)(OCC)OCC.
What is the InChIKey of (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium?
The InChIKey is AVBBRKJWGUDFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P2/c1-5-11-14(10,12-6-2)8-9-7-13(3)4/h9H,3,5-8H2,1-2,4H3/q+1.
What are the key properties of (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium?
(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium has a molecular weight of 240.20 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium is sourced from PubChem (CID 90958490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).