(NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine

C8H18NO4P — CID 13294122

IUPAC(NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESC/C(=N\O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H18NO4P/c1-6(2)12-14(11,8(5)9-10)13-7(3)4/h6-7,10H,1-5H3/b9-8+
InChIKeyICRVBBDJZGSKMP-CMDGGOBGSA-N
MW223.21 g/mol
LogP2.84
Rot. Bonds5

About (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine

(NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (PubChem CID 13294122) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
PubChem CID13294122
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESC/C(=N\O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H18NO4P/c1-6(2)12-14(11,8(5)9-10)13-7(3)4/h6-7,10H,1-5H3/b9-8+
InChIKeyICRVBBDJZGSKMP-CMDGGOBGSA-N
XLogP2.84
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]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 (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (CID 13294122) is (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is C/C(=N\O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The InChIKey is ICRVBBDJZGSKMP-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-6(2)12-14(11,8(5)9-10)13-7(3)4/h6-7,10H,1-5H3/b9-8+.
What are the key properties of (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
(NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine has a molecular weight of 223.21 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is sourced from PubChem (CID 13294122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).