N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine

C16H37NO7P2 — CID 87357769

IUPACN,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine
SMILESCCOC(C)N(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC
InChIInChI=1S/C16H37NO7P2/c1-7-20-16(6)17(12-14-25(18,21-8-2)22-9-3)13-15-26(19,23-10-4)24-11-5/h16H,7-15H2,1-6H3
InChIKeyMZQIBEOUUGVAOV-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.20
Rot. Bonds17

About N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine

N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine (PubChem CID 87357769) has the molecular formula C16H37NO7P2 and a molecular weight of 417.42 g/mol. Its IUPAC name is N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine.

Molecular Properties

Compound NameN,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine
PubChem CID87357769
Molecular FormulaC16H37NO7P2
Molecular Weight417.42 g/mol
Exact Mass417.20
IUPAC NameN,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine
SMILESCCOC(C)N(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC
InChIInChI=1S/C16H37NO7P2/c1-7-20-16(6)17(12-14-25(18,21-8-2)22-9-3)13-15-26(19,23-10-4)24-11-5/h16H,7-15H2,1-6H3
InChIKeyMZQIBEOUUGVAOV-UHFFFAOYSA-N
XLogP4.20
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
3-diethoxyphosphoryl-1,1-dimethoxypropane;hydrate
CID 18686709
1-diethoxyphosphoryldecane
CID 2773697
2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-diethoxyphosphorylundecane
CID 57360026
1-ethoxyethyl 2-diethoxyphosphorylacetate
CID 88781181
3-amino-4-[2-diethoxyphosphorylethyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 11778943
5-diethoxyphosphorylpentanenitrile
CID 54374059
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane
CID 18688092

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine?
The IUPAC name of N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine (CID 87357769) is N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine.
What is the SMILES notation for N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine?
The canonical SMILES for N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine is CCOC(C)N(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC.
What is the InChIKey of N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine?
The InChIKey is MZQIBEOUUGVAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO7P2/c1-7-20-16(6)17(12-14-25(18,21-8-2)22-9-3)13-15-26(19,23-10-4)24-11-5/h16H,7-15H2,1-6H3.
What are the key properties of N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine?
N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine has a molecular weight of 417.42 g/mol, XLogP of 4.20, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine is sourced from PubChem (CID 87357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).