2,2,3,4-tetramethylhexanenitrile

C10H19N — CID 130631375

IUPAC2,2,3,4-tetramethylhexanenitrile
SMILESCCC(C)C(C)C(C)(C)C#N
InChIInChI=1S/C10H19N/c1-6-8(2)9(3)10(4,5)7-11/h8-9H,6H2,1-5H3
InChIKeyHVYCKYSSRRLFSW-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.22
Rot. Bonds3

About 2,2,3,4-tetramethylhexanenitrile

2,2,3,4-tetramethylhexanenitrile (PubChem CID 130631375) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2,3,4-tetramethylhexanenitrile.

Molecular Properties

Compound Name2,2,3,4-tetramethylhexanenitrile
PubChem CID130631375
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2,3,4-tetramethylhexanenitrile
SMILESCCC(C)C(C)C(C)(C)C#N
InChIInChI=1S/C10H19N/c1-6-8(2)9(3)10(4,5)7-11/h8-9H,6H2,1-5H3
InChIKeyHVYCKYSSRRLFSW-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,4-tetramethylhexanenitrile 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

3-(1-ethoxyethyl)-2,2,4-trimethylpentanenitrile
CID 155417121
2,4,4,5,6-pentamethyloctane
CID 57491109
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 60915967
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
2,3,5,5,6,7-hexamethylnonane
CID 91311352
2,2,3,4,5-pentamethylheptane
CID 53428630
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
2,2-dimethyl-3-nitrobutanenitrile
CID 14112823
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
CID 134889751
CID 134889751
2,2-dimethylbutanenitrile;ethane
CID 144998313

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethylhexanenitrile?
The IUPAC name of 2,2,3,4-tetramethylhexanenitrile (CID 130631375) is 2,2,3,4-tetramethylhexanenitrile.
What is the SMILES notation for 2,2,3,4-tetramethylhexanenitrile?
The canonical SMILES for 2,2,3,4-tetramethylhexanenitrile is CCC(C)C(C)C(C)(C)C#N.
What is the InChIKey of 2,2,3,4-tetramethylhexanenitrile?
The InChIKey is HVYCKYSSRRLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(2)9(3)10(4,5)7-11/h8-9H,6H2,1-5H3.
What are the key properties of 2,2,3,4-tetramethylhexanenitrile?
2,2,3,4-tetramethylhexanenitrile has a molecular weight of 153.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethylhexanenitrile is sourced from PubChem (CID 130631375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).