N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine

C12H28NO4P — CID 23431835

IUPACN-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine
SMILESCCOP(=O)(OCC)C(C(C)C)N(O)C(C)(C)C
InChIInChI=1S/C12H28NO4P/c1-8-16-18(15,17-9-2)11(10(3)4)13(14)12(5,6)7/h10-11,14H,8-9H2,1-7H3
InChIKeyCPEIKCZWVQDNKS-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.72
Rot. Bonds7

About N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine

N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine (PubChem CID 23431835) has the molecular formula C12H28NO4P and a molecular weight of 281.33 g/mol. Its IUPAC name is N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine
PubChem CID23431835
Molecular FormulaC12H28NO4P
Molecular Weight281.33 g/mol
Exact Mass281.18
IUPAC NameN-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine
SMILESCCOP(=O)(OCC)C(C(C)C)N(O)C(C)(C)C
InChIInChI=1S/C12H28NO4P/c1-8-16-18(15,17-9-2)11(10(3)4)13(14)12(5,6)7/h10-11,14H,8-9H2,1-7H3
InChIKeyCPEIKCZWVQDNKS-UHFFFAOYSA-N
XLogP3.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.72
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-methylpropyl)hydroxylamine?
The IUPAC name of N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine (CID 23431835) is N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine?
The canonical SMILES for N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine is CCOP(=O)(OCC)C(C(C)C)N(O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine?
The InChIKey is CPEIKCZWVQDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO4P/c1-8-16-18(15,17-9-2)11(10(3)4)13(14)12(5,6)7/h10-11,14H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine?
N-tert-butyl-N-(1-diethoxyphosphoryl-2-methylpropyl)hydroxylamine has a molecular weight of 281.33 g/mol, XLogP of 3.72, 7 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-methylpropyl)hydroxylamine is sourced from PubChem (CID 23431835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).