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

C8H19N2O4P — CID 14755443

IUPAC(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESCC(C)OP(=O)(OC(C)C)/C(CN)=N/O
InChIInChI=1S/C8H19N2O4P/c1-6(2)13-15(12,14-7(3)4)8(5-9)10-11/h6-7,11H,5,9H2,1-4H3/b10-8+
InChIKeyDCHYWNRCDUKHNL-CSKARUKUSA-N
MW238.22 g/mol
LogP1.78
Rot. Bonds6

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

(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (PubChem CID 14755443) has the molecular formula C8H19N2O4P and a molecular weight of 238.22 g/mol. Its IUPAC name is (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
PubChem CID14755443
Molecular FormulaC8H19N2O4P
Molecular Weight238.22 g/mol
Exact Mass238.11
IUPAC Name(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESCC(C)OP(=O)(OC(C)C)/C(CN)=N/O
InChIInChI=1S/C8H19N2O4P/c1-6(2)13-15(12,14-7(3)4)8(5-9)10-11/h6-7,11H,5,9H2,1-4H3/b10-8+
InChIKeyDCHYWNRCDUKHNL-CSKARUKUSA-N
XLogP1.78
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
CID 125475807
(NE)-N-[di(propan-2-yloxy)phosphoryl-(4-fluorophenyl)methylidene]hydroxylamine
CID 71483548
1-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
CID 4204254
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
(Z,1Z)-1,4-bis[di(propan-2-yloxy)phosphoryl]-3-hydroxy-4-(hydroxyamino)-1-hydroxyiminobut-3-en-2-one
CID 177464082
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
CID 10681444
(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-dimethylphosphoryloxypropane
CID 12572720
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (CID 14755443) is (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is CC(C)OP(=O)(OC(C)C)/C(CN)=N/O.
What is the InChIKey of (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The InChIKey is DCHYWNRCDUKHNL-CSKARUKUSA-N. The full InChI is InChI=1S/C8H19N2O4P/c1-6(2)13-15(12,14-7(3)4)8(5-9)10-11/h6-7,11H,5,9H2,1-4H3/b10-8+.
What are the key properties of (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine has a molecular weight of 238.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is sourced from PubChem (CID 14755443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).