N-dipropoxyphosphoryl-N-ethylpropan-1-amine

C11H26NO3P — CID 24741650

IUPACN-dipropoxyphosphoryl-N-ethylpropan-1-amine
SMILESCCCOP(=O)(OCCC)N(CC)CCC
InChIInChI=1S/C11H26NO3P/c1-5-9-12(8-4)16(13,14-10-6-2)15-11-7-3/h5-11H2,1-4H3
InChIKeyNBGKBBYBGXHOMB-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.68
Rot. Bonds10

About N-dipropoxyphosphoryl-N-ethylpropan-1-amine

N-dipropoxyphosphoryl-N-ethylpropan-1-amine (PubChem CID 24741650) has the molecular formula C11H26NO3P and a molecular weight of 251.31 g/mol. Its IUPAC name is N-dipropoxyphosphoryl-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-dipropoxyphosphoryl-N-ethylpropan-1-amine
PubChem CID24741650
Molecular FormulaC11H26NO3P
Molecular Weight251.31 g/mol
Exact Mass251.17
IUPAC NameN-dipropoxyphosphoryl-N-ethylpropan-1-amine
SMILESCCCOP(=O)(OCCC)N(CC)CCC
InChIInChI=1S/C11H26NO3P/c1-5-9-12(8-4)16(13,14-10-6-2)15-11-7-3/h5-11H2,1-4H3
InChIKeyNBGKBBYBGXHOMB-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.68
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

[dibutoxyphosphoryl(hydroxymethyl)amino]methanol
CID 20528591
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664
N-dimethylphosphoryl-N-propylpropan-1-amine
CID 154336648
N-[methoxy(propoxy)phosphoryl]-N-methylmethanamine
CID 541932
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
N-[ethoxy(propoxy)phosphoryl]-N-methylpropan-2-amine
CID 170850998
N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 22756487
N'-bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphoryl-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 169075524
1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane
CID 91477346
[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
CID 154512469
butoxy-N,N-dibutylphosphonamidic acid
CID 18676696
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716

Frequently Asked Questions

What is the IUPAC name of N-dipropoxyphosphoryl-N-ethylpropan-1-amine?
The IUPAC name of N-dipropoxyphosphoryl-N-ethylpropan-1-amine (CID 24741650) is N-dipropoxyphosphoryl-N-ethylpropan-1-amine.
What is the SMILES notation for N-dipropoxyphosphoryl-N-ethylpropan-1-amine?
The canonical SMILES for N-dipropoxyphosphoryl-N-ethylpropan-1-amine is CCCOP(=O)(OCCC)N(CC)CCC.
What is the InChIKey of N-dipropoxyphosphoryl-N-ethylpropan-1-amine?
The InChIKey is NBGKBBYBGXHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO3P/c1-5-9-12(8-4)16(13,14-10-6-2)15-11-7-3/h5-11H2,1-4H3.
What are the key properties of N-dipropoxyphosphoryl-N-ethylpropan-1-amine?
N-dipropoxyphosphoryl-N-ethylpropan-1-amine has a molecular weight of 251.31 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipropoxyphosphoryl-N-ethylpropan-1-amine is sourced from PubChem (CID 24741650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).