2-diethoxyphosphanyl-N-methylethanamine

C7H18NO2P — CID 142963573

IUPAC2-diethoxyphosphanyl-N-methylethanamine
SMILESCCOP(CCNC)OCC
InChIInChI=1S/C7H18NO2P/c1-4-9-11(10-5-2)7-6-8-3/h8H,4-7H2,1-3H3
InChIKeyXEGQJSUKGWCRCK-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.59
Rot. Bonds7

About 2-diethoxyphosphanyl-N-methylethanamine

2-diethoxyphosphanyl-N-methylethanamine (PubChem CID 142963573) has the molecular formula C7H18NO2P and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-diethoxyphosphanyl-N-methylethanamine.

Molecular Properties

Compound Name2-diethoxyphosphanyl-N-methylethanamine
PubChem CID142963573
Molecular FormulaC7H18NO2P
Molecular Weight179.20 g/mol
Exact Mass179.11
IUPAC Name2-diethoxyphosphanyl-N-methylethanamine
SMILESCCOP(CCNC)OCC
InChIInChI=1S/C7H18NO2P/c1-4-9-11(10-5-2)7-6-8-3/h8H,4-7H2,1-3H3
InChIKeyXEGQJSUKGWCRCK-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethoxy(pentyl)phosphane
CID 21107293
4-diethoxyphosphanylbutan-1-amine
CID 143917073
bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
CID 156788715
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N-methylbutan-1-amine
CID 8068
diethoxy(methyl)phosphane;phosphane
CID 174821155
diethyl hydrogen phosphite
CID 12977
ethoxy-ethyl-(4-methylphenoxy)phosphane
CID 57278205
phenyl 2-diethoxyphosphanylethanesulfonate
CID 90443588
N-ethyl-N-methyl-3-(methylamino)propan-1-amine oxide
CID 158102297
N'-methylethane-1,2-diamine;triethoxysilane
CID 173025805
ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphanyl-N-methylethanamine?
The IUPAC name of 2-diethoxyphosphanyl-N-methylethanamine (CID 142963573) is 2-diethoxyphosphanyl-N-methylethanamine.
What is the SMILES notation for 2-diethoxyphosphanyl-N-methylethanamine?
The canonical SMILES for 2-diethoxyphosphanyl-N-methylethanamine is CCOP(CCNC)OCC.
What is the InChIKey of 2-diethoxyphosphanyl-N-methylethanamine?
The InChIKey is XEGQJSUKGWCRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO2P/c1-4-9-11(10-5-2)7-6-8-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-diethoxyphosphanyl-N-methylethanamine?
2-diethoxyphosphanyl-N-methylethanamine has a molecular weight of 179.20 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphanyl-N-methylethanamine is sourced from PubChem (CID 142963573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).