N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine

C13H30NO4P — CID 22647787

IUPACN-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
SMILESCCOP(=O)(OCC)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30NO4P/c1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h11,15H,9-10H2,1-8H3
InChIKeySYHLCMUSYHFPPE-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.11
Rot. Bonds6

About N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine

N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine (PubChem CID 22647787) has the molecular formula C13H30NO4P and a molecular weight of 295.36 g/mol. Its IUPAC name is N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
PubChem CID22647787
Molecular FormulaC13H30NO4P
Molecular Weight295.36 g/mol
Exact Mass295.19
IUPAC NameN-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
SMILESCCOP(=O)(OCC)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H30NO4P/c1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h11,15H,9-10H2,1-8H3
InChIKeySYHLCMUSYHFPPE-UHFFFAOYSA-N
XLogP4.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The IUPAC name of N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine (CID 22647787) is N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The canonical SMILES for N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine is CCOP(=O)(OCC)C(N(O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The InChIKey is SYHLCMUSYHFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO4P/c1-9-17-19(16,18-10-2)11(12(3,4)5)14(15)13(6,7)8/h11,15H,9-10H2,1-8H3.
What are the key properties of N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine has a molecular weight of 295.36 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine is sourced from PubChem (CID 22647787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).