2-cyclohexylpropanedinitrile;methane

C10H16N2 — CID 142914800

IUPAC2-cyclohexylpropanedinitrile;methane
SMILESC.N#CC(C#N)C1CCCCC1
InChIInChI=1S/C9H12N2.CH4/c10-6-9(7-11)8-4-2-1-3-5-8;/h8-9H,1-5H2;1H4
InChIKeyPMIRDBCCSRZHQE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.87
Rot. Bonds1

About 2-cyclohexylpropanedinitrile;methane

2-cyclohexylpropanedinitrile;methane (PubChem CID 142914800) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-cyclohexylpropanedinitrile;methane.

Molecular Properties

Compound Name2-cyclohexylpropanedinitrile;methane
PubChem CID142914800
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-cyclohexylpropanedinitrile;methane
SMILESC.N#CC(C#N)C1CCCCC1
InChIInChI=1S/C9H12N2.CH4/c10-6-9(7-11)8-4-2-1-3-5-8;/h8-9H,1-5H2;1H4
InChIKeyPMIRDBCCSRZHQE-UHFFFAOYSA-N
XLogP2.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylpropanedinitrile
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methane;propan-2-ylcyclotetradecane
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2-cyclohexylpentanenitrile
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[(1S)-1-cyclohexylethyl] cyanate
CID 58109695
2-cyclobutyl-3-hydroxypropanenitrile
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(2S)-2-cyclohexyl-2-trimethylsilyloxyacetonitrile
CID 11805988
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropanedinitrile;methane?
The IUPAC name of 2-cyclohexylpropanedinitrile;methane (CID 142914800) is 2-cyclohexylpropanedinitrile;methane.
What is the SMILES notation for 2-cyclohexylpropanedinitrile;methane?
The canonical SMILES for 2-cyclohexylpropanedinitrile;methane is C.N#CC(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropanedinitrile;methane?
The InChIKey is PMIRDBCCSRZHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.CH4/c10-6-9(7-11)8-4-2-1-3-5-8;/h8-9H,1-5H2;1H4.
What are the key properties of 2-cyclohexylpropanedinitrile;methane?
2-cyclohexylpropanedinitrile;methane has a molecular weight of 164.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropanedinitrile;methane is sourced from PubChem (CID 142914800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).