2,2-dimethylpent-4-enenitrile;ethane

C11H23N — CID 144998306

IUPAC2,2-dimethylpent-4-enenitrile;ethane
SMILESC=CCC(C)(C)C#N.CC.CC
InChIInChI=1S/C7H11N.2C2H6/c1-4-5-7(2,3)6-8;2*1-2/h4H,1,5H2,2-3H3;2*1-2H3
InChIKeyHAXRSIXLSDWGPE-UHFFFAOYSA-N
MW169.31 g/mol
LogP4.16
Rot. Bonds2

About 2,2-dimethylpent-4-enenitrile;ethane

2,2-dimethylpent-4-enenitrile;ethane (PubChem CID 144998306) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,2-dimethylpent-4-enenitrile;ethane.

Molecular Properties

Compound Name2,2-dimethylpent-4-enenitrile;ethane
PubChem CID144998306
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,2-dimethylpent-4-enenitrile;ethane
SMILESC=CCC(C)(C)C#N.CC.CC
InChIInChI=1S/C7H11N.2C2H6/c1-4-5-7(2,3)6-8;2*1-2/h4H,1,5H2,2-3H3;2*1-2H3
InChIKeyHAXRSIXLSDWGPE-UHFFFAOYSA-N
XLogP4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methylpent-4-enenitrile
CID 88512279
2,2-dimethylbutanenitrile;ethane
CID 144998313
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
(2R)-2,5-dimethyl-2-prop-2-enylhex-4-enenitrile
CID 89307025
2-ethyl-2,5,5-tris(prop-2-enyl)hexanedinitrile
CID 137470419
2-chloro-4,4-dimethylhepta-2,6-dienenitrile
CID 123666836
2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile
CID 57269816
4-chloro-4-methylpent-1-ene
CID 14174361
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile
CID 174183391
2,2-bis(prop-2-enyl)heptanenitrile
CID 87904800

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpent-4-enenitrile;ethane?
The IUPAC name of 2,2-dimethylpent-4-enenitrile;ethane (CID 144998306) is 2,2-dimethylpent-4-enenitrile;ethane.
What is the SMILES notation for 2,2-dimethylpent-4-enenitrile;ethane?
The canonical SMILES for 2,2-dimethylpent-4-enenitrile;ethane is C=CCC(C)(C)C#N.CC.CC.
What is the InChIKey of 2,2-dimethylpent-4-enenitrile;ethane?
The InChIKey is HAXRSIXLSDWGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.2C2H6/c1-4-5-7(2,3)6-8;2*1-2/h4H,1,5H2,2-3H3;2*1-2H3.
What are the key properties of 2,2-dimethylpent-4-enenitrile;ethane?
2,2-dimethylpent-4-enenitrile;ethane has a molecular weight of 169.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpent-4-enenitrile;ethane is sourced from PubChem (CID 144998306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).