2-propyl-5-trimethylsilyloxyiminoheptanenitrile

C13H26N2OSi — CID 140887599

IUPAC2-propyl-5-trimethylsilyloxyiminoheptanenitrile
SMILESCCCC(C#N)CCC(CC)=NO[Si](C)(C)C
InChIInChI=1S/C13H26N2OSi/c1-6-8-12(11-14)9-10-13(7-2)15-16-17(3,4)5/h12H,6-10H2,1-5H3
InChIKeyDHAJGEJLKUDGGU-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.32
Rot. Bonds8

About 2-propyl-5-trimethylsilyloxyiminoheptanenitrile

2-propyl-5-trimethylsilyloxyiminoheptanenitrile (PubChem CID 140887599) has the molecular formula C13H26N2OSi and a molecular weight of 254.45 g/mol. Its IUPAC name is 2-propyl-5-trimethylsilyloxyiminoheptanenitrile.

Molecular Properties

Compound Name2-propyl-5-trimethylsilyloxyiminoheptanenitrile
PubChem CID140887599
Molecular FormulaC13H26N2OSi
Molecular Weight254.45 g/mol
Exact Mass254.18
IUPAC Name2-propyl-5-trimethylsilyloxyiminoheptanenitrile
SMILESCCCC(C#N)CCC(CC)=NO[Si](C)(C)C
InChIInChI=1S/C13H26N2OSi/c1-6-8-12(11-14)9-10-13(7-2)15-16-17(3,4)5/h12H,6-10H2,1-5H3
InChIKeyDHAJGEJLKUDGGU-UHFFFAOYSA-N
XLogP4.32
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propyl-5-trimethylsilyloxyiminoheptanenitrile 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

[(E)-6-cyanononan-3-ylideneamino] acetate
CID 118511280
2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
6-trimethylsilyloxyiminodecanenitrile
CID 140887490
5-phenylmethoxyimino-2-propylhexanenitrile
CID 140887382
2-propylhexadecanenitrile
CID 54538320
2-ethyl-4-trimethylsilyloxyiminobutanenitrile
CID 140887655
diethyl 4-cyanoheptanedioate
CID 14911872
4-cyano-N-(3,5-dimethylphenyl)heptanamide
CID 112516683
methyl 4-cyanohexanoate
CID 13096120
ethyl (3R)-3-cyanohexanoate
CID 129391759
2-(propoxymethyl)pentanenitrile
CID 139796145
3-trimethylsilyloxyiminobutanenitrile
CID 140887440

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-trimethylsilyloxyiminoheptanenitrile?
The IUPAC name of 2-propyl-5-trimethylsilyloxyiminoheptanenitrile (CID 140887599) is 2-propyl-5-trimethylsilyloxyiminoheptanenitrile.
What is the SMILES notation for 2-propyl-5-trimethylsilyloxyiminoheptanenitrile?
The canonical SMILES for 2-propyl-5-trimethylsilyloxyiminoheptanenitrile is CCCC(C#N)CCC(CC)=NO[Si](C)(C)C.
What is the InChIKey of 2-propyl-5-trimethylsilyloxyiminoheptanenitrile?
The InChIKey is DHAJGEJLKUDGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OSi/c1-6-8-12(11-14)9-10-13(7-2)15-16-17(3,4)5/h12H,6-10H2,1-5H3.
What are the key properties of 2-propyl-5-trimethylsilyloxyiminoheptanenitrile?
2-propyl-5-trimethylsilyloxyiminoheptanenitrile has a molecular weight of 254.45 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-trimethylsilyloxyiminoheptanenitrile is sourced from PubChem (CID 140887599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).