3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile

C12H20N2 — CID 130525551

IUPAC3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CNC1CCCC2CC21
InChIInChI=1S/C12H20N2/c1-12(2,7-13)8-14-11-5-3-4-9-6-10(9)11/h9-11,14H,3-6,8H2,1-2H3
InChIKeyCHXRFTWYNAZJBP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.31
Rot. Bonds3

About 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile

3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile (PubChem CID 130525551) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile
PubChem CID130525551
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CNC1CCCC2CC21
InChIInChI=1S/C12H20N2/c1-12(2,7-13)8-14-11-5-3-4-9-6-10(9)11/h9-11,14H,3-6,8H2,1-2H3
InChIKeyCHXRFTWYNAZJBP-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile (CID 130525551) is 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile is CC(C)(C#N)CNC1CCCC2CC21.
What is the InChIKey of 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile?
The InChIKey is CHXRFTWYNAZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,7-13)8-14-11-5-3-4-9-6-10(9)11/h9-11,14H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile?
3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile has a molecular weight of 192.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[4.1.0]heptanylamino)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 130525551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).