1-azido-1-diethoxyphosphorylpropane

C7H16N3O3P — CID 10353441

IUPAC1-azido-1-diethoxyphosphorylpropane
SMILESCCOP(=O)(OCC)C(CC)N=[N+]=[N-]
InChIInChI=1S/C7H16N3O3P/c1-4-7(9-10-8)14(11,12-5-2)13-6-3/h7H,4-6H2,1-3H3
InChIKeyPLYMLIUBSUALGM-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.30
Rot. Bonds7

About 1-azido-1-diethoxyphosphorylpropane

1-azido-1-diethoxyphosphorylpropane (PubChem CID 10353441) has the molecular formula C7H16N3O3P and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-azido-1-diethoxyphosphorylpropane.

Molecular Properties

Compound Name1-azido-1-diethoxyphosphorylpropane
PubChem CID10353441
Molecular FormulaC7H16N3O3P
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name1-azido-1-diethoxyphosphorylpropane
SMILESCCOP(=O)(OCC)C(CC)N=[N+]=[N-]
InChIInChI=1S/C7H16N3O3P/c1-4-7(9-10-8)14(11,12-5-2)13-6-3/h7H,4-6H2,1-3H3
InChIKeyPLYMLIUBSUALGM-UHFFFAOYSA-N
XLogP3.30
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azido-1-diethoxyphosphorylpropane with MolForge

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

Launch Full Analysis

Related Compounds

4-azido-4-di(propan-2-yloxy)phosphorylbut-1-ene
CID 146164418
2-diethoxyphosphorylbutane
CID 2733649
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356
1-[azido-[azido(ethoxy)methyl]sulfinylmethoxy]ethane;phosphoric acid
CID 175369878
1-azido-N-benzyl-1-diethoxyphosphorylmethanamine
CID 24975691
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-azido-3-diethoxyphosphorylpropane
CID 10867835
[diethoxyphosphoryl(ethoxy)methyl]-oxophosphanium
CID 173180122
2-diethoxyphosphorylbutanenitrile
CID 13179404

Frequently Asked Questions

What is the IUPAC name of 1-azido-1-diethoxyphosphorylpropane?
The IUPAC name of 1-azido-1-diethoxyphosphorylpropane (CID 10353441) is 1-azido-1-diethoxyphosphorylpropane.
What is the SMILES notation for 1-azido-1-diethoxyphosphorylpropane?
The canonical SMILES for 1-azido-1-diethoxyphosphorylpropane is CCOP(=O)(OCC)C(CC)N=[N+]=[N-].
What is the InChIKey of 1-azido-1-diethoxyphosphorylpropane?
The InChIKey is PLYMLIUBSUALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O3P/c1-4-7(9-10-8)14(11,12-5-2)13-6-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-azido-1-diethoxyphosphorylpropane?
1-azido-1-diethoxyphosphorylpropane has a molecular weight of 221.20 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-diethoxyphosphorylpropane is sourced from PubChem (CID 10353441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).