N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine

C10H23NO5P2 — CID 172676222

IUPACN-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCCOP(=O)(CN(CC)P1OCCCO1)OCC
InChIInChI=1S/C10H23NO5P2/c1-4-11(17-13-8-7-9-14-17)10-18(12,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKeyDSPKVVJTZLTPEZ-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.20
Rot. Bonds8

About N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine

N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine (PubChem CID 172676222) has the molecular formula C10H23NO5P2 and a molecular weight of 299.24 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine
PubChem CID172676222
Molecular FormulaC10H23NO5P2
Molecular Weight299.24 g/mol
Exact Mass299.11
IUPAC NameN-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCCOP(=O)(CN(CC)P1OCCCO1)OCC
InChIInChI=1S/C10H23NO5P2/c1-4-11(17-13-8-7-9-14-17)10-18(12,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKeyDSPKVVJTZLTPEZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Phosphoramidic acid, diethyl-, cyclic trimethylene ester
CID 13181702
Diethyl {[(diethoxyphosphorothioyl)(ethyl)amino]methyl}phosphonate
CID 3840360
diethyl N-ethyl-N-(diethoxyphosphino)amino-methylphosphonate
CID 12030538
diethyl [N-[ethoxy(methyl)phosphinoyl]-N-ethylamino]methylphosphonate
CID 12130168
O-Ethyl O'-[(diisopropylamino)methylphosphoryl] methanephophonate
CID 603830
N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 14387013
N-[diethoxyphosphorylmethyl(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 166559478
N-ethyl-N-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 175597420
N-methyl-2-oxo-N-propyl-1,3,2lambda5-dioxaphosphinan-2-amine
CID 175597421
N,2-bis(diethoxyphosphoryl)-N-methylethanamine
CID 12557388
2-(Diethylamino)-4-methoxy-1,3,2,4lambda~5~-dioxadiphosphinan-4-one
CID 13204174
N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine
CID 23273256

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine?
The IUPAC name of N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine (CID 172676222) is N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine is CCOP(=O)(CN(CC)P1OCCCO1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine?
The InChIKey is DSPKVVJTZLTPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5P2/c1-4-11(17-13-8-7-9-14-17)10-18(12,15-5-2)16-6-3/h4-10H2,1-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine?
N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine has a molecular weight of 299.24 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-N-ethyl-1,3,2-dioxaphosphinan-2-amine is sourced from PubChem (CID 172676222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).