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

C12H28INO4P- — CID 163552966

IUPACN-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
SMILESCCOP(=O)(O[I-]C)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28INO4P/c1-9-17-19(16,18-13-8)10(11(2,3)4)14(15)12(5,6)7/h10,15H,9H2,1-8H3/q-1
InChIKeyQUNMDTMORVEIFS-UHFFFAOYSA-N
MW408.24 g/mol
LogP0.73
Rot. Bonds6

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

N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine (PubChem CID 163552966) has the molecular formula C12H28INO4P- and a molecular weight of 408.24 g/mol. Its IUPAC name is N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
PubChem CID163552966
Molecular FormulaC12H28INO4P-
Molecular Weight408.24 g/mol
Exact Mass408.08
IUPAC NameN-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
SMILESCCOP(=O)(O[I-]C)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28INO4P/c1-9-17-19(16,18-13-8)10(11(2,3)4)14(15)12(5,6)7/h10,15H,9H2,1-8H3/q-1
InChIKeyQUNMDTMORVEIFS-UHFFFAOYSA-N
XLogP0.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 20751673
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
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 102573066
CID 102573066
butyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 102071689
2-(1-diethoxyphosphoryl-2,2-dimethylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100963635
[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
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine (CID 163552966) is N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine is CCOP(=O)(O[I-]C)C(N(O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The InChIKey is QUNMDTMORVEIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28INO4P/c1-9-17-19(16,18-13-8)10(11(2,3)4)14(15)12(5,6)7/h10,15H,9H2,1-8H3/q-1.
What are the key properties of N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine has a molecular weight of 408.24 g/mol, XLogP of 0.73, 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-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine is sourced from PubChem (CID 163552966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).