3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile

C16H20N4 — CID 166999311

IUPAC3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile
SMILESN#CCCC1C(CCC#N)C(CCC#N)C1CCC#N
InChIInChI=1S/C16H20N4/c17-9-1-5-13-14(6-2-10-18)16(8-4-12-20)15(13)7-3-11-19/h13-16H,1-8H2
InChIKeyINHDPFQNXYTFOJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.68
Rot. Bonds8

About 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile

3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile (PubChem CID 166999311) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile.

Molecular Properties

Compound Name3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile
PubChem CID166999311
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile
SMILESN#CCCC1C(CCC#N)C(CCC#N)C1CCC#N
InChIInChI=1S/C16H20N4/c17-9-1-5-13-14(6-2-10-18)16(8-4-12-20)15(13)7-3-11-19/h13-16H,1-8H2
InChIKeyINHDPFQNXYTFOJ-UHFFFAOYSA-N
XLogP3.68
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,3,4,5,6-pentakis(2-cyanoethyl)cyclohexyl]propanenitrile
CID 166999538
3-cyclopropylpropanenitrile
CID 12768628
3-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]propanenitrile
CID 59748305
3-cycloheptylpropanenitrile
CID 13164045
3-[6-(2-cyanoethyl)-5-pentyl-4-propylcyclohex-2-en-1-yl]propanenitrile
CID 58382944
4-(7-bicyclo[2.2.1]heptanyl)butanenitrile
CID 21392670
3-(4-hydroxycyclohexyl)propanenitrile
CID 14022803
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
henicosanedinitrile
CID 87345062
3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile
CID 142894768
3-pyrrolidin-3-ylpropanenitrile
CID 83669079
3-[(2R,3S,4R)-4-methyl-2-[(E)-pent-1-enyl]oxolan-3-yl]propanenitrile
CID 59906161

Frequently Asked Questions

What is the IUPAC name of 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile?
The IUPAC name of 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile (CID 166999311) is 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile.
What is the SMILES notation for 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile?
The canonical SMILES for 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile is N#CCCC1C(CCC#N)C(CCC#N)C1CCC#N.
What is the InChIKey of 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile?
The InChIKey is INHDPFQNXYTFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-9-1-5-13-14(6-2-10-18)16(8-4-12-20)15(13)7-3-11-19/h13-16H,1-8H2.
What are the key properties of 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile?
3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile has a molecular weight of 268.36 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile is sourced from PubChem (CID 166999311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).