2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile

C10H18N2 — CID 66043790

IUPAC2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile
SMILESC=C(CC)CN(C)CC(C)C#N
InChIInChI=1S/C10H18N2/c1-5-9(2)7-12(4)8-10(3)6-11/h10H,2,5,7-8H2,1,3-4H3
InChIKeyOVVNQPKAACDARJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.04
Rot. Bonds5

About 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile

2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile (PubChem CID 66043790) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile
PubChem CID66043790
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile
SMILESC=C(CC)CN(C)CC(C)C#N
InChIInChI=1S/C10H18N2/c1-5-9(2)7-12(4)8-10(3)6-11/h10H,2,5,7-8H2,1,3-4H3
InChIKeyOVVNQPKAACDARJ-UHFFFAOYSA-N
XLogP2.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.04
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-3-[methyl(2-methylidenebutyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile (CID 66043790) is 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile is C=C(CC)CN(C)CC(C)C#N.
What is the InChIKey of 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile?
The InChIKey is OVVNQPKAACDARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(2)7-12(4)8-10(3)6-11/h10H,2,5,7-8H2,1,3-4H3.
What are the key properties of 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile?
2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile is sourced from PubChem (CID 66043790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).