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

C11H24N2 — CID 160535578

IUPAC2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane
SMILESCC.CN(C(C)(C)C)C(C)(C)C#N
InChIInChI=1S/C9H18N2.C2H6/c1-8(2,3)11(6)9(4,5)7-10;1-2/h1-6H3;1-2H3
InChIKeyQWCMKRKWJJTIES-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.05
Rot. Bonds1

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

2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane (PubChem CID 160535578) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane
PubChem CID160535578
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane
SMILESCC.CN(C(C)(C)C)C(C)(C)C#N
InChIInChI=1S/C9H18N2.C2H6/c1-8(2,3)11(6)9(4,5)7-10;1-2/h1-6H3;1-2H3
InChIKeyQWCMKRKWJJTIES-UHFFFAOYSA-N
XLogP3.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Diethylamino)-2-methylpropanenitrile
CID 12570646
2-(Dimethylamino)-2-methylpropanenitrile
CID 10510831
3-[Methyl(2-methylbutan-2-yl)amino]propanenitrile
CID 10820789
2-(Diisopropylamino)propionitrile
CID 10997260
2-(Ditert-butylamino)acetonitrile
CID 13692146
2-Cyanopropan-2-yl(trimethyl)azanium
CID 18472060
2-(Dipropylamino)-2-methylpropanenitrile
CID 21483375
2-[Tert-butyl(methyl)amino]-2-methylpropanenitrile
CID 22973010
3-[Tert-butyl(methyl)amino]propanenitrile
CID 58721783
2-[Tert-butyl(methyl)amino]acetonitrile
CID 59151740
2-[Ethyl(propan-2-yl)amino]propanenitrile
CID 61695791
2-[Methyl(2-methylbutan-2-yl)amino]acetonitrile
CID 63981245

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane?
The IUPAC name of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane (CID 160535578) is 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane?
The canonical SMILES for 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane is CC.CN(C(C)(C)C)C(C)(C)C#N.
What is the InChIKey of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane?
The InChIKey is QWCMKRKWJJTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-8(2,3)11(6)9(4,5)7-10;1-2/h1-6H3;1-2H3.
What are the key properties of 2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane?
2-[tert-butyl(methyl)amino]-2-methylpropanenitrile;ethane has a molecular weight of 184.33 g/mol, XLogP of 3.05, 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;ethane is sourced from PubChem (CID 160535578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).