N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine

C7H17NO4P2 — CID 13204174

IUPACN,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine
SMILESCCN(CC)P1OCCP(=O)(OC)O1
InChIInChI=1S/C7H17NO4P2/c1-4-8(5-2)13-11-6-7-14(9,10-3)12-13/h4-7H2,1-3H3
InChIKeyLSQJTCCHCKFQBY-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.44
Rot. Bonds4

About N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine

N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine (PubChem CID 13204174) has the molecular formula C7H17NO4P2 and a molecular weight of 241.16 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine
PubChem CID13204174
Molecular FormulaC7H17NO4P2
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC NameN,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine
SMILESCCN(CC)P1OCCP(=O)(OC)O1
InChIInChI=1S/C7H17NO4P2/c1-4-8(5-2)13-11-6-7-14(9,10-3)12-13/h4-7H2,1-3H3
InChIKeyLSQJTCCHCKFQBY-UHFFFAOYSA-N
XLogP2.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl methyl diethylamidodiphosphate
CID 12236
HC 4131
CID 11227
Phosphonamidic acid, N,N-diethyl-P-methyl-, ethyl ester
CID 520090
Ethyl N,N,P-triethylphosphonamidate
CID 71380812
diethyl N-ethyl-N-(diethoxyphosphino)amino-methylphosphonate
CID 12030538
diethyl [N-[ethoxy(methyl)phosphinoyl]-N-ethylamino]methylphosphonate
CID 12130168
diethyl {[N-(1,3,2-dioxaphosphorinan-2-yl)-N-ethylamino]methyl}phosphonate
CID 172676222
Phosphonamidic acid, triethyl-, ethyl ester, (S)-
CID 92007376
1-(2-Methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl)ethylphosphonic acid
CID 59906490
N-[[[diethylamino(ethoxy)phosphoryl]-ethylphosphanyl]-ethoxyphosphoryl]-N-ethylethanamine
CID 12543033
N,2-bis(diethoxyphosphoryl)-N-methylethanamine
CID 12557388

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine?
The IUPAC name of N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine (CID 13204174) is N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine.
What is the SMILES notation for N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine?
The canonical SMILES for N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine is CCN(CC)P1OCCP(=O)(OC)O1.
What is the InChIKey of N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine?
The InChIKey is LSQJTCCHCKFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4P2/c1-4-8(5-2)13-11-6-7-14(9,10-3)12-13/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine?
N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine has a molecular weight of 241.16 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxy-4-oxo-1,3,2,4lambda5-dioxadiphosphinan-2-amine is sourced from PubChem (CID 13204174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).