N-dipropoxyphosphoryl-N-ethylpropan-2-amine

C11H26NO3P — CID 86037686

IUPACN-dipropoxyphosphoryl-N-ethylpropan-2-amine
SMILESCCCOP(=O)(OCCC)N(CC)C(C)C
InChIInChI=1S/C11H26NO3P/c1-6-9-14-16(13,15-10-7-2)12(8-3)11(4)5/h11H,6-10H2,1-5H3
InChIKeyHPKCPMFZHARNCA-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.68
Rot. Bonds9

About N-dipropoxyphosphoryl-N-ethylpropan-2-amine

N-dipropoxyphosphoryl-N-ethylpropan-2-amine (PubChem CID 86037686) has the molecular formula C11H26NO3P and a molecular weight of 251.31 g/mol. Its IUPAC name is N-dipropoxyphosphoryl-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-dipropoxyphosphoryl-N-ethylpropan-2-amine
PubChem CID86037686
Molecular FormulaC11H26NO3P
Molecular Weight251.31 g/mol
Exact Mass251.17
IUPAC NameN-dipropoxyphosphoryl-N-ethylpropan-2-amine
SMILESCCCOP(=O)(OCCC)N(CC)C(C)C
InChIInChI=1S/C11H26NO3P/c1-6-9-14-16(13,15-10-7-2)12(8-3)11(4)5/h11H,6-10H2,1-5H3
InChIKeyHPKCPMFZHARNCA-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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'}

Analyze N-dipropoxyphosphoryl-N-ethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dipropoxyphosphoryl-N-ethylpropan-2-amine?
The IUPAC name of N-dipropoxyphosphoryl-N-ethylpropan-2-amine (CID 86037686) is N-dipropoxyphosphoryl-N-ethylpropan-2-amine.
What is the SMILES notation for N-dipropoxyphosphoryl-N-ethylpropan-2-amine?
The canonical SMILES for N-dipropoxyphosphoryl-N-ethylpropan-2-amine is CCCOP(=O)(OCCC)N(CC)C(C)C.
What is the InChIKey of N-dipropoxyphosphoryl-N-ethylpropan-2-amine?
The InChIKey is HPKCPMFZHARNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO3P/c1-6-9-14-16(13,15-10-7-2)12(8-3)11(4)5/h11H,6-10H2,1-5H3.
What are the key properties of N-dipropoxyphosphoryl-N-ethylpropan-2-amine?
N-dipropoxyphosphoryl-N-ethylpropan-2-amine has a molecular weight of 251.31 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipropoxyphosphoryl-N-ethylpropan-2-amine is sourced from PubChem (CID 86037686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).