N-(1-diethoxyphosphorylhexylidene)hydroxylamine

C10H22NO4P — CID 86741358

IUPACN-(1-diethoxyphosphorylhexylidene)hydroxylamine
SMILESCCCCCC(=NO)P(=O)(OCC)OCC
InChIInChI=1S/C10H22NO4P/c1-4-7-8-9-10(11-12)16(13,14-5-2)15-6-3/h12H,4-9H2,1-3H3
InChIKeyIANBIXDZHWWHHL-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.62
Rot. Bonds9

About N-(1-diethoxyphosphorylhexylidene)hydroxylamine

N-(1-diethoxyphosphorylhexylidene)hydroxylamine (PubChem CID 86741358) has the molecular formula C10H22NO4P and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(1-diethoxyphosphorylhexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-diethoxyphosphorylhexylidene)hydroxylamine
PubChem CID86741358
Molecular FormulaC10H22NO4P
Molecular Weight251.26 g/mol
Exact Mass251.13
IUPAC NameN-(1-diethoxyphosphorylhexylidene)hydroxylamine
SMILESCCCCCC(=NO)P(=O)(OCC)OCC
InChIInChI=1S/C10H22NO4P/c1-4-7-8-9-10(11-12)16(13,14-5-2)15-6-3/h12H,4-9H2,1-3H3
InChIKeyIANBIXDZHWWHHL-UHFFFAOYSA-N
XLogP3.62
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-diethoxyphosphoryl-N-methoxypentan-1-imine
CID 131851037
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
butyl [butoxy(ethoxy)phosphoryl]formate
CID 91568211
2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
CID 87617764
2-diethoxyphosphorylpent-1-ene
CID 11844671
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
bis(diethoxyphosphoryl)methanimine
CID 87803281
decoxy ethyl hydrogen phosphate
CID 150858602
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
butane;ethoxy(hexyl)phosphinic acid
CID 174841560

Frequently Asked Questions

What is the IUPAC name of N-(1-diethoxyphosphorylhexylidene)hydroxylamine?
The IUPAC name of N-(1-diethoxyphosphorylhexylidene)hydroxylamine (CID 86741358) is N-(1-diethoxyphosphorylhexylidene)hydroxylamine.
What is the SMILES notation for N-(1-diethoxyphosphorylhexylidene)hydroxylamine?
The canonical SMILES for N-(1-diethoxyphosphorylhexylidene)hydroxylamine is CCCCCC(=NO)P(=O)(OCC)OCC.
What is the InChIKey of N-(1-diethoxyphosphorylhexylidene)hydroxylamine?
The InChIKey is IANBIXDZHWWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO4P/c1-4-7-8-9-10(11-12)16(13,14-5-2)15-6-3/h12H,4-9H2,1-3H3.
What are the key properties of N-(1-diethoxyphosphorylhexylidene)hydroxylamine?
N-(1-diethoxyphosphorylhexylidene)hydroxylamine has a molecular weight of 251.26 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diethoxyphosphorylhexylidene)hydroxylamine is sourced from PubChem (CID 86741358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).