decane-2,3,7-tricarbonitrile

C13H19N3 — CID 175423203

IUPACdecane-2,3,7-tricarbonitrile
SMILESCCC(C#N)CCCC(C#N)C(C#N)CC
InChIInChI=1S/C13H19N3/c1-3-11(8-14)6-5-7-13(10-16)12(4-2)9-15/h11-13H,3-7H2,1-2H3
InChIKeyACYYCVBYBALNJT-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.40
Rot. Bonds7

About decane-2,3,7-tricarbonitrile

decane-2,3,7-tricarbonitrile (PubChem CID 175423203) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is decane-2,3,7-tricarbonitrile.

Molecular Properties

Compound Namedecane-2,3,7-tricarbonitrile
PubChem CID175423203
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Namedecane-2,3,7-tricarbonitrile
SMILESCCC(C#N)CCCC(C#N)C(C#N)CC
InChIInChI=1S/C13H19N3/c1-3-11(8-14)6-5-7-13(10-16)12(4-2)9-15/h11-13H,3-7H2,1-2H3
InChIKeyACYYCVBYBALNJT-UHFFFAOYSA-N
XLogP3.40
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhept-6-ynenitrile
CID 25268245
2-ethyloct-7-enenitrile
CID 87482647
2-ethyl-4-(methylideneamino)butanenitrile
CID 122461150
2-ethylhept-5-enenitrile
CID 123154860
2-ethyl-3-hydroxyheptanenitrile
CID 79131820
2-ethylpentanenitrile;phosphoric acid;hydrate
CID 87127750
2-ethyl-3-hydroxyhexanenitrile
CID 79132579
2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
methyl 4-cyanohexanoate
CID 13096120
chloro 4-cyanohexanoate
CID 174347302
2-propylhexadecanenitrile
CID 54538320

Frequently Asked Questions

What is the IUPAC name of decane-2,3,7-tricarbonitrile?
The IUPAC name of decane-2,3,7-tricarbonitrile (CID 175423203) is decane-2,3,7-tricarbonitrile.
What is the SMILES notation for decane-2,3,7-tricarbonitrile?
The canonical SMILES for decane-2,3,7-tricarbonitrile is CCC(C#N)CCCC(C#N)C(C#N)CC.
What is the InChIKey of decane-2,3,7-tricarbonitrile?
The InChIKey is ACYYCVBYBALNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-11(8-14)6-5-7-13(10-16)12(4-2)9-15/h11-13H,3-7H2,1-2H3.
What are the key properties of decane-2,3,7-tricarbonitrile?
decane-2,3,7-tricarbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane-2,3,7-tricarbonitrile is sourced from PubChem (CID 175423203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).