ethane;2-ethyl-2-methylbutanenitrile

C9H19N — CID 162762947

IUPACethane;2-ethyl-2-methylbutanenitrile
SMILESCC.CCC(C)(C#N)CC
InChIInChI=1S/C7H13N.C2H6/c1-4-7(3,5-2)6-8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyOJTCYJKHHJNWAV-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.36
Rot. Bonds2

About ethane;2-ethyl-2-methylbutanenitrile

ethane;2-ethyl-2-methylbutanenitrile (PubChem CID 162762947) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;2-ethyl-2-methylbutanenitrile.

Molecular Properties

Compound Nameethane;2-ethyl-2-methylbutanenitrile
PubChem CID162762947
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;2-ethyl-2-methylbutanenitrile
SMILESCC.CCC(C)(C#N)CC
InChIInChI=1S/C7H13N.C2H6/c1-4-7(3,5-2)6-8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyOJTCYJKHHJNWAV-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-methylpent-4-ynenitrile
CID 130513645
2-ethyl-2-methylhexanenitrile
CID 57197936
2,2-dimethylbutanenitrile;ethane
CID 144998313
2-ethyl-2,5-dimethylhex-5-enenitrile
CID 130513627
(4-cyano-4-methylhexyl)boronic acid
CID 154170374
2-benzyl-2-methylbutanenitrile
CID 65377862
CID 174019372
CID 174019372
2-methyl-2-[(4-methylphenyl)methyl]butanenitrile
CID 65376608
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
3-cyanopentan-3-ylphosphanium
CID 173400189
2-cyanobutane-2-sulfonic acid
CID 154239244
2,2-dimethylbutanenitrile;silicic acid
CID 175510249

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2-methylbutanenitrile?
The IUPAC name of ethane;2-ethyl-2-methylbutanenitrile (CID 162762947) is ethane;2-ethyl-2-methylbutanenitrile.
What is the SMILES notation for ethane;2-ethyl-2-methylbutanenitrile?
The canonical SMILES for ethane;2-ethyl-2-methylbutanenitrile is CC.CCC(C)(C#N)CC.
What is the InChIKey of ethane;2-ethyl-2-methylbutanenitrile?
The InChIKey is OJTCYJKHHJNWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-4-7(3,5-2)6-8;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-2-methylbutanenitrile?
ethane;2-ethyl-2-methylbutanenitrile has a molecular weight of 141.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2-methylbutanenitrile is sourced from PubChem (CID 162762947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).