2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile

C12H20N2 — CID 54497637

IUPAC2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile
SMILESCC1(C)C2CCC1[C@@H](CC(N)C#N)C2
InChIInChI=1S/C12H20N2/c1-12(2)9-3-4-11(12)8(5-9)6-10(14)7-13/h8-11H,3-6,14H2,1-2H3/t8-,9?,10?,11?/m1/s1
InChIKeyYAFYSWOHWASWCD-XUHYKBHQSA-N
MW192.31 g/mol
LogP2.30
Rot. Bonds2

About 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile

2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile (PubChem CID 54497637) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile.

Molecular Properties

Compound Name2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile
PubChem CID54497637
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile
SMILESCC1(C)C2CCC1[C@@H](CC(N)C#N)C2
InChIInChI=1S/C12H20N2/c1-12(2)9-3-4-11(12)8(5-9)6-10(14)7-13/h8-11H,3-6,14H2,1-2H3/t8-,9?,10?,11?/m1/s1
InChIKeyYAFYSWOHWASWCD-XUHYKBHQSA-N
XLogP2.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile?
The IUPAC name of 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile (CID 54497637) is 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile.
What is the SMILES notation for 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile?
The canonical SMILES for 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile is CC1(C)C2CCC1[C@@H](CC(N)C#N)C2.
What is the InChIKey of 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile?
The InChIKey is YAFYSWOHWASWCD-XUHYKBHQSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2)9-3-4-11(12)8(5-9)6-10(14)7-13/h8-11H,3-6,14H2,1-2H3/t8-,9?,10?,11?/m1/s1.
What are the key properties of 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile?
2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile has a molecular weight of 192.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]propanenitrile is sourced from PubChem (CID 54497637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).