2-[tert-butyl(methyl)amino]-2-methylpropanenitrile

C9H18N2 — CID 22973010

IUPAC2-[tert-butyl(methyl)amino]-2-methylpropanenitrile
SMILESCN(C(C)(C)C)C(C)(C)C#N
InChIInChI=1S/C9H18N2/c1-8(2,3)11(6)9(4,5)7-10/h1-6H3
InChIKeyBVTIBLHKPKHBEY-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds1

About 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile

2-[tert-butyl(methyl)amino]-2-methylpropanenitrile (PubChem CID 22973010) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]-2-methylpropanenitrile
PubChem CID22973010
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[tert-butyl(methyl)amino]-2-methylpropanenitrile
SMILESCN(C(C)(C)C)C(C)(C)C#N
InChIInChI=1S/C9H18N2/c1-8(2,3)11(6)9(4,5)7-10/h1-6H3
InChIKeyBVTIBLHKPKHBEY-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile (CID 22973010) is 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile is CN(C(C)(C)C)C(C)(C)C#N.
What is the InChIKey of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is BVTIBLHKPKHBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2,3)11(6)9(4,5)7-10/h1-6H3.
What are the key properties of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
2-[tert-butyl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 22973010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).