1-diethoxyphosphoryl-N-methoxypentan-1-imine

C10H22NO4P — CID 131851037

IUPAC1-diethoxyphosphoryl-N-methoxypentan-1-imine
SMILESCCCCC(=NOC)P(=O)(OCC)OCC
InChIInChI=1S/C10H22NO4P/c1-5-8-9-10(11-13-4)16(12,14-6-2)15-7-3/h5-9H2,1-4H3
InChIKeyZWTYFOFJANBMDT-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.40
Rot. Bonds9

About 1-diethoxyphosphoryl-N-methoxypentan-1-imine

1-diethoxyphosphoryl-N-methoxypentan-1-imine (PubChem CID 131851037) has the molecular formula C10H22NO4P and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-methoxypentan-1-imine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-methoxypentan-1-imine
PubChem CID131851037
Molecular FormulaC10H22NO4P
Molecular Weight251.26 g/mol
Exact Mass251.13
IUPAC Name1-diethoxyphosphoryl-N-methoxypentan-1-imine
SMILESCCCCC(=NOC)P(=O)(OCC)OCC
InChIInChI=1S/C10H22NO4P/c1-5-8-9-10(11-13-4)16(12,14-6-2)15-7-3/h5-9H2,1-4H3
InChIKeyZWTYFOFJANBMDT-UHFFFAOYSA-N
XLogP3.40
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-N-methoxypentan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-diethoxyphosphorylhexylidene)hydroxylamine
CID 86741358
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]hept-1-ene
CID 11474216
butyl [butoxy(ethoxy)phosphoryl]formate
CID 91568211
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine
CID 129409647
2-diethoxyphosphorylpent-1-ene
CID 11844671
bis(diethoxyphosphoryl)methanimine
CID 87803281
2-diethoxyphosphorylhex-1-enylidenecyclohexane
CID 25215350
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
CID 10470856
CID 10470856

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-methoxypentan-1-imine?
The IUPAC name of 1-diethoxyphosphoryl-N-methoxypentan-1-imine (CID 131851037) is 1-diethoxyphosphoryl-N-methoxypentan-1-imine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-methoxypentan-1-imine?
The canonical SMILES for 1-diethoxyphosphoryl-N-methoxypentan-1-imine is CCCCC(=NOC)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-N-methoxypentan-1-imine?
The InChIKey is ZWTYFOFJANBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO4P/c1-5-8-9-10(11-13-4)16(12,14-6-2)15-7-3/h5-9H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-N-methoxypentan-1-imine?
1-diethoxyphosphoryl-N-methoxypentan-1-imine has a molecular weight of 251.26 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-methoxypentan-1-imine is sourced from PubChem (CID 131851037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).