N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine

C12H28NO4P — CID 20751673

IUPACN-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
SMILESCCOP(=O)(OC)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28NO4P/c1-9-17-18(15,16-8)10(11(2,3)4)13(14)12(5,6)7/h10,14H,9H2,1-8H3
InChIKeyLGSZOEZXYQCINO-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.72
Rot. Bonds5

About N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine

N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine (PubChem CID 20751673) has the molecular formula C12H28NO4P and a molecular weight of 281.33 g/mol. Its IUPAC name is N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
PubChem CID20751673
Molecular FormulaC12H28NO4P
Molecular Weight281.33 g/mol
Exact Mass281.18
IUPAC NameN-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
SMILESCCOP(=O)(OC)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28NO4P/c1-9-17-18(15,16-8)10(11(2,3)4)13(14)12(5,6)7/h10,14H,9H2,1-8H3
InChIKeyLGSZOEZXYQCINO-UHFFFAOYSA-N
XLogP3.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 163552966
2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropan-2-yl formate;N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 163621446
CID 10935280
CID 10935280
N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
CID 22041931
N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 23143931
sodium 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 11407007
CID 59071497
CID 59071497
CID 102573066
CID 102573066
butyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 102071689
1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
CID 71365075
[3,5-bis[2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoyloxy]-2,4,6-trioxo-1,3,5-triazinan-1-yl] 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 101073397

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine (CID 20751673) is N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine is CCOP(=O)(OC)C(N(O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The InChIKey is LGSZOEZXYQCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO4P/c1-9-17-18(15,16-8)10(11(2,3)4)13(14)12(5,6)7/h10,14H,9H2,1-8H3.
What are the key properties of N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
N-tert-butyl-N-[1-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine has a molecular weight of 281.33 g/mol, XLogP of 3.72, 5 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-[ethoxy(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine is sourced from PubChem (CID 20751673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).