2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile

C16H24N2 — CID 101485758

IUPAC2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
SMILESC[C@@H]1CCC[C@H](C2(C(C#N)C#N)CCCCC2)C1
InChIInChI=1S/C16H24N2/c1-13-6-5-7-14(10-13)16(15(11-17)12-18)8-3-2-4-9-16/h13-15H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyOYQVWQZAZCQVTH-KGLIPLIRSA-N
MW244.38 g/mol
LogP4.43
Rot. Bonds2

About 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile

2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile (PubChem CID 101485758) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile.

Molecular Properties

Compound Name2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
PubChem CID101485758
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
SMILESC[C@@H]1CCC[C@H](C2(C(C#N)C#N)CCCCC2)C1
InChIInChI=1S/C16H24N2/c1-13-6-5-7-14(10-13)16(15(11-17)12-18)8-3-2-4-9-16/h13-15H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyOYQVWQZAZCQVTH-KGLIPLIRSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cycloheptylcyclohexyl)propanedinitrile
CID 11128551
2-cyclopropyl-2-(3-methylcyclohexyl)azepane
CID 79117657
3-ethyl-1-(3-methylcyclohexyl)cyclohexane-1-carbonitrile
CID 114277439
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclooctane;methylcyclobutane
CID 159456217
2-methoxy-2-(3-methylcyclohexyl)acetonitrile
CID 66072356
1-cyclohexyl-1-[1-(1-cyclohexylcyclohexyl)ethyl]cyclohexane
CID 173089072
3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
CID 175398948
1-(3-methylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754449
[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane
CID 173197514
7-(3-methylcyclohexyl)bicyclo[4.1.0]heptan-7-amine
CID 79331390

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile?
The IUPAC name of 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile (CID 101485758) is 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile.
What is the SMILES notation for 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile?
The canonical SMILES for 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile is C[C@@H]1CCC[C@H](C2(C(C#N)C#N)CCCCC2)C1.
What is the InChIKey of 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile?
The InChIKey is OYQVWQZAZCQVTH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-6-5-7-14(10-13)16(15(11-17)12-18)8-3-2-4-9-16/h13-15H,2-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile?
2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile has a molecular weight of 244.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile is sourced from PubChem (CID 101485758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).