2-(1-cycloheptylcyclohexyl)propanedinitrile

C16H24N2 — CID 11128551

IUPAC2-(1-cycloheptylcyclohexyl)propanedinitrile
SMILESN#CC(C#N)C1(C2CCCCCC2)CCCCC1
InChIInChI=1S/C16H24N2/c17-12-15(13-18)16(10-6-3-7-11-16)14-8-4-1-2-5-9-14/h14-15H,1-11H2
InChIKeySVFDBJAGQUCUDW-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.57
Rot. Bonds2

About 2-(1-cycloheptylcyclohexyl)propanedinitrile

2-(1-cycloheptylcyclohexyl)propanedinitrile (PubChem CID 11128551) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(1-cycloheptylcyclohexyl)propanedinitrile.

Molecular Properties

Compound Name2-(1-cycloheptylcyclohexyl)propanedinitrile
PubChem CID11128551
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(1-cycloheptylcyclohexyl)propanedinitrile
SMILESN#CC(C#N)C1(C2CCCCCC2)CCCCC1
InChIInChI=1S/C16H24N2/c17-12-15(13-18)16(10-6-3-7-11-16)14-8-4-1-2-5-9-14/h14-15H,1-11H2
InChIKeySVFDBJAGQUCUDW-UHFFFAOYSA-N
XLogP4.57
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
CID 101485758
1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
CID 173089072
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
1-butan-2-yl-1-cyclopentylcyclopentane;silane
CID 160938684
1,1-di(cyclooctyl)cyclooctane
CID 23107007
tris(1-cyclohexylcyclohexyl)phosphane
CID 68554407
cyclopropyl-(1-cyclopropylcyclohexyl)methanamine
CID 174737228
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
6-cyclohexyl-7,8-diazabicyclo[4.2.0]oct-7-ene-1-carbonitrile
CID 90862346
1-cyclohexylsulfanylcyclohexane-1-carbonitrile
CID 65139562
1-cyclohexyl-1-ethynylcyclohexane
CID 175496127
(1-methylcyclopentyl)cyclohexane
CID 13217819

Frequently Asked Questions

What is the IUPAC name of 2-(1-cycloheptylcyclohexyl)propanedinitrile?
The IUPAC name of 2-(1-cycloheptylcyclohexyl)propanedinitrile (CID 11128551) is 2-(1-cycloheptylcyclohexyl)propanedinitrile.
What is the SMILES notation for 2-(1-cycloheptylcyclohexyl)propanedinitrile?
The canonical SMILES for 2-(1-cycloheptylcyclohexyl)propanedinitrile is N#CC(C#N)C1(C2CCCCCC2)CCCCC1.
What is the InChIKey of 2-(1-cycloheptylcyclohexyl)propanedinitrile?
The InChIKey is SVFDBJAGQUCUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-12-15(13-18)16(10-6-3-7-11-16)14-8-4-1-2-5-9-14/h14-15H,1-11H2.
What are the key properties of 2-(1-cycloheptylcyclohexyl)propanedinitrile?
2-(1-cycloheptylcyclohexyl)propanedinitrile has a molecular weight of 244.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cycloheptylcyclohexyl)propanedinitrile is sourced from PubChem (CID 11128551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).