2,6-dimethylheptanedinitrile

C9H14N2 — CID 15584321

IUPAC2,6-dimethylheptanedinitrile
SMILESCC(C#N)CCCC(C)C#N
InChIInChI=1S/C9H14N2/c1-8(6-10)4-3-5-9(2)7-11/h8-9H,3-5H2,1-2H3
InChIKeyIERAUDYEBKFNFZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.48
Rot. Bonds4

About 2,6-dimethylheptanedinitrile

2,6-dimethylheptanedinitrile (PubChem CID 15584321) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,6-dimethylheptanedinitrile.

Molecular Properties

Compound Name2,6-dimethylheptanedinitrile
PubChem CID15584321
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,6-dimethylheptanedinitrile
SMILESCC(C#N)CCCC(C)C#N
InChIInChI=1S/C9H14N2/c1-8(6-10)4-3-5-9(2)7-11/h8-9H,3-5H2,1-2H3
InChIKeyIERAUDYEBKFNFZ-UHFFFAOYSA-N
XLogP2.48
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
5-(dipropylamino)-2-methylpentanenitrile
CID 143685466
(Z)-2-methylnon-6-enenitrile
CID 10773147
2-methylhexadec-15-enenitrile
CID 54387096
2-methyl-5-sulfanylhexanenitrile
CID 123379431
2-methyl-6-oxooctanenitrile
CID 162414520
1,3-dimethyloctane-1,3,7-tricarbonitrile
CID 122418902
2-methyltetracos-20-enenitrile
CID 175156352
6-[diethoxy(methyl)silyl]-2-methylhexanenitrile
CID 154276430
(2S)-2,4-dimethylpentanenitrile
CID 121493485
3-iodo-2-methylpropanenitrile
CID 87227198
sodium 2-methylbutanenitrile
CID 23346888

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptanedinitrile?
The IUPAC name of 2,6-dimethylheptanedinitrile (CID 15584321) is 2,6-dimethylheptanedinitrile.
What is the SMILES notation for 2,6-dimethylheptanedinitrile?
The canonical SMILES for 2,6-dimethylheptanedinitrile is CC(C#N)CCCC(C)C#N.
What is the InChIKey of 2,6-dimethylheptanedinitrile?
The InChIKey is IERAUDYEBKFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(6-10)4-3-5-9(2)7-11/h8-9H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethylheptanedinitrile?
2,6-dimethylheptanedinitrile has a molecular weight of 150.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptanedinitrile is sourced from PubChem (CID 15584321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).