N-dipropoxyphosphoryl-N-methylethanamine

C9H22NO3P — CID 86037673

IUPACN-dipropoxyphosphoryl-N-methylethanamine
SMILESCCCOP(=O)(OCCC)N(C)CC
InChIInChI=1S/C9H22NO3P/c1-5-8-12-14(11,10(4)7-3)13-9-6-2/h5-9H2,1-4H3
InChIKeyZHXPIEKOCQMQDZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.90
Rot. Bonds8

About N-dipropoxyphosphoryl-N-methylethanamine

N-dipropoxyphosphoryl-N-methylethanamine (PubChem CID 86037673) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is N-dipropoxyphosphoryl-N-methylethanamine.

Molecular Properties

Compound NameN-dipropoxyphosphoryl-N-methylethanamine
PubChem CID86037673
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC NameN-dipropoxyphosphoryl-N-methylethanamine
SMILESCCCOP(=O)(OCCC)N(C)CC
InChIInChI=1S/C9H22NO3P/c1-5-8-12-14(11,10(4)7-3)13-9-6-2/h5-9H2,1-4H3
InChIKeyZHXPIEKOCQMQDZ-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl dibutylphosphoramidate
CID 105706
Diethyl (2-(dimethylamino)ethyl)phosphonate
CID 283497
Diethyl dimethylphosphoramidate
CID 520087
Ethyl hydrogen diethylamidophosphate
CID 15083623
Diethyl ((diethylamino)methyl)phosphonate
CID 70444
P,P-Diamidoimidodiphosphoric acid, N''-ethyl-N,N,N',N'-tetramethyl-, diethyl ester
CID 3042455
Phosphoramidic acid, diethyl-, ethyl methyl ester
CID 15083625
Diethyl methyl diethylamidodiphosphate
CID 12236
Phosphoramidic acid, N,N-diethyl-, diethyl ester
CID 137846
N-diethoxyphosphoryl-N-methylethanamine
CID 24740829
HC 4131
CID 11227
Phosphoramidic acid, diethyl-, cyclic trimethylene ester
CID 13181702

Frequently Asked Questions

What is the IUPAC name of N-dipropoxyphosphoryl-N-methylethanamine?
The IUPAC name of N-dipropoxyphosphoryl-N-methylethanamine (CID 86037673) is N-dipropoxyphosphoryl-N-methylethanamine.
What is the SMILES notation for N-dipropoxyphosphoryl-N-methylethanamine?
The canonical SMILES for N-dipropoxyphosphoryl-N-methylethanamine is CCCOP(=O)(OCCC)N(C)CC.
What is the InChIKey of N-dipropoxyphosphoryl-N-methylethanamine?
The InChIKey is ZHXPIEKOCQMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-5-8-12-14(11,10(4)7-3)13-9-6-2/h5-9H2,1-4H3.
What are the key properties of N-dipropoxyphosphoryl-N-methylethanamine?
N-dipropoxyphosphoryl-N-methylethanamine has a molecular weight of 223.25 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipropoxyphosphoryl-N-methylethanamine is sourced from PubChem (CID 86037673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).