2,2-dicyclohexylpropanedinitrile

C15H22N2 — CID 557872

IUPAC2,2-dicyclohexylpropanedinitrile
SMILESN#CC(C#N)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H22N2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-10H2
InChIKeyIBFSBJXZXIXAEQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.18
Rot. Bonds2

About 2,2-dicyclohexylpropanedinitrile

2,2-dicyclohexylpropanedinitrile (PubChem CID 557872) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2-dicyclohexylpropanedinitrile.

Molecular Properties

Compound Name2,2-dicyclohexylpropanedinitrile
PubChem CID557872
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,2-dicyclohexylpropanedinitrile
SMILESN#CC(C#N)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H22N2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-10H2
InChIKeyIBFSBJXZXIXAEQ-UHFFFAOYSA-N
XLogP4.18
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexylpropanedinitrile?
The IUPAC name of 2,2-dicyclohexylpropanedinitrile (CID 557872) is 2,2-dicyclohexylpropanedinitrile.
What is the SMILES notation for 2,2-dicyclohexylpropanedinitrile?
The canonical SMILES for 2,2-dicyclohexylpropanedinitrile is N#CC(C#N)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexylpropanedinitrile?
The InChIKey is IBFSBJXZXIXAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-11-15(12-17,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-10H2.
What are the key properties of 2,2-dicyclohexylpropanedinitrile?
2,2-dicyclohexylpropanedinitrile has a molecular weight of 230.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylpropanedinitrile is sourced from PubChem (CID 557872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).