2-(tert-butylamino)-5-methylhexanenitrile

C11H22N2 — CID 20825477

IUPAC2-(tert-butylamino)-5-methylhexanenitrile
SMILESCC(C)CCC(C#N)NC(C)(C)C
InChIInChI=1S/C11H22N2/c1-9(2)6-7-10(8-12)13-11(3,4)5/h9-10,13H,6-7H2,1-5H3
InChIKeyWOCFTQRNOOLFMU-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.70
Rot. Bonds4

About 2-(tert-butylamino)-5-methylhexanenitrile

2-(tert-butylamino)-5-methylhexanenitrile (PubChem CID 20825477) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-methylhexanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-5-methylhexanenitrile
PubChem CID20825477
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(tert-butylamino)-5-methylhexanenitrile
SMILESCC(C)CCC(C#N)NC(C)(C)C
InChIInChI=1S/C11H22N2/c1-9(2)6-7-10(8-12)13-11(3,4)5/h9-10,13H,6-7H2,1-5H3
InChIKeyWOCFTQRNOOLFMU-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-5-methylhexanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-methylhexanenitrile?
The IUPAC name of 2-(tert-butylamino)-5-methylhexanenitrile (CID 20825477) is 2-(tert-butylamino)-5-methylhexanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-5-methylhexanenitrile?
The canonical SMILES for 2-(tert-butylamino)-5-methylhexanenitrile is CC(C)CCC(C#N)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-5-methylhexanenitrile?
The InChIKey is WOCFTQRNOOLFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)6-7-10(8-12)13-11(3,4)5/h9-10,13H,6-7H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-5-methylhexanenitrile?
2-(tert-butylamino)-5-methylhexanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5-methylhexanenitrile is sourced from PubChem (CID 20825477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).