3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile

C11H18N2 — CID 131106334

IUPAC3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile
SMILESCC(C#N)C(C)NC1C2CCCC21
InChIInChI=1S/C11H18N2/c1-7(6-12)8(2)13-11-9-4-3-5-10(9)11/h7-11,13H,3-5H2,1-2H3
InChIKeyXJIWVDZNWQDHFT-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.92
Rot. Bonds3

About 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile

3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile (PubChem CID 131106334) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile
PubChem CID131106334
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile
SMILESCC(C#N)C(C)NC1C2CCCC21
InChIInChI=1S/C11H18N2/c1-7(6-12)8(2)13-11-9-4-3-5-10(9)11/h7-11,13H,3-5H2,1-2H3
InChIKeyXJIWVDZNWQDHFT-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile 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 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile?
The IUPAC name of 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile (CID 131106334) is 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile.
What is the SMILES notation for 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile?
The canonical SMILES for 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile is CC(C#N)C(C)NC1C2CCCC21.
What is the InChIKey of 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile?
The InChIKey is XJIWVDZNWQDHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7(6-12)8(2)13-11-9-4-3-5-10(9)11/h7-11,13H,3-5H2,1-2H3.
What are the key properties of 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile?
3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile has a molecular weight of 178.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile is sourced from PubChem (CID 131106334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).