undecane-1,3,6,9,11-pentacarbonitrile

C16H19N5 — CID 170446650

IUPACundecane-1,3,6,9,11-pentacarbonitrile
SMILESN#CCCC(C#N)CCC(C#N)CCC(C#N)CCC#N
InChIInChI=1S/C16H19N5/c17-9-1-3-14(11-19)5-7-16(13-21)8-6-15(12-20)4-2-10-18/h14-16H,1-8H2
InChIKeyQQMJTVAXJZFPIK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.57
Rot. Bonds10

About undecane-1,3,6,9,11-pentacarbonitrile

undecane-1,3,6,9,11-pentacarbonitrile (PubChem CID 170446650) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is undecane-1,3,6,9,11-pentacarbonitrile.

Molecular Properties

Compound Nameundecane-1,3,6,9,11-pentacarbonitrile
PubChem CID170446650
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Nameundecane-1,3,6,9,11-pentacarbonitrile
SMILESN#CCCC(C#N)CCC(C#N)CCC(C#N)CCC#N
InChIInChI=1S/C16H19N5/c17-9-1-3-14(11-19)5-7-16(13-21)8-6-15(12-20)4-2-10-18/h14-16H,1-8H2
InChIKeyQQMJTVAXJZFPIK-UHFFFAOYSA-N
XLogP3.57
TPSA118.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dodecane-1,3,6,9,12-pentacarbonitrile
CID 170446647
(3S)-heptane-1,3,7-tricarbonitrile
CID 167132993
octane-1,3,5,8-tetracarbonitrile
CID 154124005
dodecane-1,4,6,9,12-pentacarbonitrile
CID 170446642
2-butylheptanedinitrile
CID 175152726
(2S)-2-hydroxypentanedinitrile
CID 98062050
4-methylheptanedinitrile
CID 12673956
2-[(4-methoxyphenyl)methyl]pentanedinitrile
CID 177394761
2-formylpentanedinitrile
CID 54469175
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pentanedinitrile
CID 99833474
2-cyanoethyl(triethyl)phosphanium
CID 4524375
4-amino-4-hydroxybutanenitrile
CID 88688773

Frequently Asked Questions

What is the IUPAC name of undecane-1,3,6,9,11-pentacarbonitrile?
The IUPAC name of undecane-1,3,6,9,11-pentacarbonitrile (CID 170446650) is undecane-1,3,6,9,11-pentacarbonitrile.
What is the SMILES notation for undecane-1,3,6,9,11-pentacarbonitrile?
The canonical SMILES for undecane-1,3,6,9,11-pentacarbonitrile is N#CCCC(C#N)CCC(C#N)CCC(C#N)CCC#N.
What is the InChIKey of undecane-1,3,6,9,11-pentacarbonitrile?
The InChIKey is QQMJTVAXJZFPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c17-9-1-3-14(11-19)5-7-16(13-21)8-6-15(12-20)4-2-10-18/h14-16H,1-8H2.
What are the key properties of undecane-1,3,6,9,11-pentacarbonitrile?
undecane-1,3,6,9,11-pentacarbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,3,6,9,11-pentacarbonitrile is sourced from PubChem (CID 170446650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).