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

C14H32NO4P — CID 91262510

IUPACN-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
SMILESCCOP(=O)(OC(C)C)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32NO4P/c1-10-18-20(17,19-11(2)3)12(13(4,5)6)15(16)14(7,8)9/h11-12,16H,10H2,1-9H3
InChIKeySJDLDGKUEPCVFE-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.50
Rot. Bonds6

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

N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine (PubChem CID 91262510) has the molecular formula C14H32NO4P and a molecular weight of 309.39 g/mol. Its IUPAC name is N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
PubChem CID91262510
Molecular FormulaC14H32NO4P
Molecular Weight309.39 g/mol
Exact Mass309.21
IUPAC NameN-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
SMILESCCOP(=O)(OC(C)C)C(N(O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32NO4P/c1-10-18-20(17,19-11(2)3)12(13(4,5)6)15(16)14(7,8)9/h11-12,16H,10H2,1-9H3
InChIKeySJDLDGKUEPCVFE-UHFFFAOYSA-N
XLogP4.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.50
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(methoxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 20751673
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
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
sodium 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 11407007
butyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 102071689
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
CID 102573066
CID 102573066
1-diethoxyphosphorylethanamine
CID 5149858

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The IUPAC name of N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine (CID 91262510) is N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The canonical SMILES for N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine is CCOP(=O)(OC(C)C)C(N(O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
The InChIKey is SJDLDGKUEPCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO4P/c1-10-18-20(17,19-11(2)3)12(13(4,5)6)15(16)14(7,8)9/h11-12,16H,10H2,1-9H3.
What are the key properties of N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine?
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine has a molecular weight of 309.39 g/mol, XLogP of 4.50, 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(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine is sourced from PubChem (CID 91262510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).