cyclohexanecarbonitrile;2-methylpropanenitrile

C11H18N2 — CID 118270870

IUPACcyclohexanecarbonitrile;2-methylpropanenitrile
SMILESCC(C)C#N.N#CC1CCCCC1
InChIInChI=1S/C7H11N.C4H7N/c8-6-7-4-2-1-3-5-7;1-4(2)3-5/h7H,1-5H2;4H,1-2H3
InChIKeyHAMQZOBJMALEDX-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.26
Rot. Bonds

About cyclohexanecarbonitrile;2-methylpropanenitrile

cyclohexanecarbonitrile;2-methylpropanenitrile (PubChem CID 118270870) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is cyclohexanecarbonitrile;2-methylpropanenitrile.

Molecular Properties

Compound Namecyclohexanecarbonitrile;2-methylpropanenitrile
PubChem CID118270870
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Namecyclohexanecarbonitrile;2-methylpropanenitrile
SMILESCC(C)C#N.N#CC1CCCCC1
InChIInChI=1S/C7H11N.C4H7N/c8-6-7-4-2-1-3-5-7;1-4(2)3-5/h7H,1-5H2;4H,1-2H3
InChIKeyHAMQZOBJMALEDX-UHFFFAOYSA-N
XLogP3.26
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonitrile;2-methylpropanenitrile?
The IUPAC name of cyclohexanecarbonitrile;2-methylpropanenitrile (CID 118270870) is cyclohexanecarbonitrile;2-methylpropanenitrile.
What is the SMILES notation for cyclohexanecarbonitrile;2-methylpropanenitrile?
The canonical SMILES for cyclohexanecarbonitrile;2-methylpropanenitrile is CC(C)C#N.N#CC1CCCCC1.
What is the InChIKey of cyclohexanecarbonitrile;2-methylpropanenitrile?
The InChIKey is HAMQZOBJMALEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C4H7N/c8-6-7-4-2-1-3-5-7;1-4(2)3-5/h7H,1-5H2;4H,1-2H3.
What are the key properties of cyclohexanecarbonitrile;2-methylpropanenitrile?
cyclohexanecarbonitrile;2-methylpropanenitrile has a molecular weight of 178.28 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonitrile;2-methylpropanenitrile is sourced from PubChem (CID 118270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).