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

C13H30NO4P — CID 23143931

IUPACN-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
SMILESCCCCN(O)C(C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H30NO4P/c1-7-10-11-14(15)12(13(4,5)6)19(16,17-8-2)18-9-3/h12,15H,7-11H2,1-6H3
InChIKeyGAKKQTRAAHSZHX-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.12
Rot. Bonds9

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

N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine (PubChem CID 23143931) has the molecular formula C13H30NO4P and a molecular weight of 295.36 g/mol. Its IUPAC name is N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine.

Molecular Properties

Compound NameN-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
PubChem CID23143931
Molecular FormulaC13H30NO4P
Molecular Weight295.36 g/mol
Exact Mass295.19
IUPAC NameN-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
SMILESCCCCN(O)C(C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H30NO4P/c1-7-10-11-14(15)12(13(4,5)6)19(16,17-8-2)18-9-3/h12,15H,7-11H2,1-6H3
InChIKeyGAKKQTRAAHSZHX-UHFFFAOYSA-N
XLogP4.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.12
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
CID 10935280
CID 10935280
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
butyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxypropanoate
CID 102071689
N-tert-butyl-N-[1-[ethoxy(methyliodanuidyloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 163552966
sodium 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 11407007
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 102049156
CID 102049156
undec-10-enyl 2-[tert-butyl-(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]oxy-2-methylpropanoate
CID 102290558
N-butyl-N-(1-ethoxyethyl)hydroxylamine
CID 21400500
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
CID 102573066
CID 102573066

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The IUPAC name of N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine (CID 23143931) is N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine.
What is the SMILES notation for N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The canonical SMILES for N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine is CCCCN(O)C(C(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
The InChIKey is GAKKQTRAAHSZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30NO4P/c1-7-10-11-14(15)12(13(4,5)6)19(16,17-8-2)18-9-3/h12,15H,7-11H2,1-6H3.
What are the key properties of N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine?
N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine has a molecular weight of 295.36 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine is sourced from PubChem (CID 23143931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).