2-(dimethylamino)-2,3-dimethylbut-3-enenitrile

C8H14N2 — CID 12526686

IUPAC2-(dimethylamino)-2,3-dimethylbut-3-enenitrile
SMILESC=C(C)C(C)(C#N)N(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3,6-9)10(4)5/h1H2,2-5H3
InChIKeyVCWXIMTZBSDSMC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.41
Rot. Bonds2

About 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile

2-(dimethylamino)-2,3-dimethylbut-3-enenitrile (PubChem CID 12526686) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2,3-dimethylbut-3-enenitrile
PubChem CID12526686
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(dimethylamino)-2,3-dimethylbut-3-enenitrile
SMILESC=C(C)C(C)(C#N)N(C)C
InChIInChI=1S/C8H14N2/c1-7(2)8(3,6-9)10(4)5/h1H2,2-5H3
InChIKeyVCWXIMTZBSDSMC-UHFFFAOYSA-N
XLogP1.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile
CID 130738530
2-(dimethylamino)-2,3-dimethylbutanenitrile
CID 43802640
4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
CID 127009354
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
3,4,4,5-tetramethylhex-5-enenitrile
CID 142049934
2-[tert-butyl(methyl)amino]-2-methylpropanenitrile
CID 22973010
2,2-dimethyl-3-sulfanylidenebutanenitrile
CID 154411588
2,2-dibromo-2-cyano-N,N-dimethylacetamide
CID 12746014
(2S,4R)-2,4-dihydroxy-3,3,5-trimethylhexanenitrile
CID 98111483
2,3-dimethylbut-3-en-2-ylazanide;bis(rutherfordium)
CID 159971843

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile?
The IUPAC name of 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile (CID 12526686) is 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile.
What is the SMILES notation for 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile?
The canonical SMILES for 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile is C=C(C)C(C)(C#N)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile?
The InChIKey is VCWXIMTZBSDSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(3,6-9)10(4)5/h1H2,2-5H3.
What are the key properties of 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile?
2-(dimethylamino)-2,3-dimethylbut-3-enenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,3-dimethylbut-3-enenitrile is sourced from PubChem (CID 12526686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).