2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile

C14H24N4O4 — CID 123821826

IUPAC2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile
SMILESCOC(C)CC(C#N)(N=NC(C#N)(CC(C)OC)OC)OC
InChIInChI=1S/C14H24N4O4/c1-11(19-3)7-13(9-15,21-5)17-18-14(10-16,22-6)8-12(2)20-4/h11-12H,7-8H2,1-6H3
InChIKeyOWEXCRDQIAXYGT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.02
Rot. Bonds10

About 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile

2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile (PubChem CID 123821826) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile.

Molecular Properties

Compound Name2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile
PubChem CID123821826
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile
SMILESCOC(C)CC(C#N)(N=NC(C#N)(CC(C)OC)OC)OC
InChIInChI=1S/C14H24N4O4/c1-11(19-3)7-13(9-15,21-5)17-18-14(10-16,22-6)8-12(2)20-4/h11-12H,7-8H2,1-6H3
InChIKeyOWEXCRDQIAXYGT-UHFFFAOYSA-N
XLogP2.02
TPSA109.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile 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

2,4-dimethoxy-4-methylpentanenitrile
CID 106676522
2-(2-methoxypropylamino)acetonitrile
CID 102697955
N-[(2S)-2-methoxypropyl]methanimine
CID 149294399
1-chloro-5-methoxy-3,3-dimethylhexane
CID 129235337
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
CID 172753622
2,3,3-trimethoxy-2-methylpropanenitrile
CID 71435377
2-methoxy-2,5-dimethylhexanenitrile
CID 66071323
(2S)-2-methoxy-3-methylbutanenitrile
CID 97030930
3-methoxybutylsilane
CID 175157864
2-(2-cyanobutan-2-yldiazenyl)-4-methoxy-2-methyl-5-oxopentanenitrile
CID 142205651
2-methoxy-5-methylhexanenitrile
CID 130959387
2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile
CID 21429800

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile?
The IUPAC name of 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile (CID 123821826) is 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile.
What is the SMILES notation for 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile?
The canonical SMILES for 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile is COC(C)CC(C#N)(N=NC(C#N)(CC(C)OC)OC)OC.
What is the InChIKey of 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile?
The InChIKey is OWEXCRDQIAXYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-11(19-3)7-13(9-15,21-5)17-18-14(10-16,22-6)8-12(2)20-4/h11-12H,7-8H2,1-6H3.
What are the key properties of 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile?
2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile has a molecular weight of 312.37 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyano-1,3-dimethoxybutyl)diazenyl]-2,4-dimethoxypentanenitrile is sourced from PubChem (CID 123821826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).