N-(1-diethoxyphosphorylbutylidene)hydroxylamine

C8H18NO4P — CID 3056460

IUPACN-(1-diethoxyphosphorylbutylidene)hydroxylamine
SMILESCCCC(=NO)P(=O)(OCC)OCC
InChIInChI=1S/C8H18NO4P/c1-4-7-8(9-10)14(11,12-5-2)13-6-3/h10H,4-7H2,1-3H3
InChIKeyXXBXWURGRWICPK-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.84
Rot. Bonds7

About N-(1-diethoxyphosphorylbutylidene)hydroxylamine

N-(1-diethoxyphosphorylbutylidene)hydroxylamine (PubChem CID 3056460) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is N-(1-diethoxyphosphorylbutylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-diethoxyphosphorylbutylidene)hydroxylamine
PubChem CID3056460
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC NameN-(1-diethoxyphosphorylbutylidene)hydroxylamine
SMILESCCCC(=NO)P(=O)(OCC)OCC
InChIInChI=1S/C8H18NO4P/c1-4-7-8(9-10)14(11,12-5-2)13-6-3/h10H,4-7H2,1-3H3
InChIKeyXXBXWURGRWICPK-UHFFFAOYSA-N
XLogP2.84
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-(1-diethoxyphosphorylbutylidene)hydroxylamine 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-(1-diethoxyphosphorylbutylidene)hydroxylamine?
The IUPAC name of N-(1-diethoxyphosphorylbutylidene)hydroxylamine (CID 3056460) is N-(1-diethoxyphosphorylbutylidene)hydroxylamine.
What is the SMILES notation for N-(1-diethoxyphosphorylbutylidene)hydroxylamine?
The canonical SMILES for N-(1-diethoxyphosphorylbutylidene)hydroxylamine is CCCC(=NO)P(=O)(OCC)OCC.
What is the InChIKey of N-(1-diethoxyphosphorylbutylidene)hydroxylamine?
The InChIKey is XXBXWURGRWICPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-4-7-8(9-10)14(11,12-5-2)13-6-3/h10H,4-7H2,1-3H3.
What are the key properties of N-(1-diethoxyphosphorylbutylidene)hydroxylamine?
N-(1-diethoxyphosphorylbutylidene)hydroxylamine has a molecular weight of 223.21 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diethoxyphosphorylbutylidene)hydroxylamine is sourced from PubChem (CID 3056460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).