2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile

C9H16N2 — CID 130738530

IUPAC2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile
SMILESC=C(C)CN(C)C(C)(C)C#N
InChIInChI=1S/C9H16N2/c1-8(2)6-11(5)9(3,4)7-10/h1,6H2,2-5H3
InChIKeyIGGFBYWUTOLBIE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile

2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile (PubChem CID 130738530) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile
PubChem CID130738530
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile
SMILESC=C(C)CN(C)C(C)(C)C#N
InChIInChI=1S/C9H16N2/c1-8(2)6-11(5)9(3,4)7-10/h1,6H2,2-5H3
InChIKeyIGGFBYWUTOLBIE-UHFFFAOYSA-N
XLogP1.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile (CID 130738530) is 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile is C=C(C)CN(C)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile?
The InChIKey is IGGFBYWUTOLBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)6-11(5)9(3,4)7-10/h1,6H2,2-5H3.
What are the key properties of 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile?
2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-methylprop-2-enyl)amino]propanenitrile is sourced from PubChem (CID 130738530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).