2-methyl-2-(2-methylpropylamino)propanenitrile

C8H16N2 — CID 28702595

IUPAC2-methyl-2-(2-methylpropylamino)propanenitrile
SMILESCC(C)CNC(C)(C)C#N
InChIInChI=1S/C8H16N2/c1-7(2)5-10-8(3,4)6-9/h7,10H,5H2,1-4H3
InChIKeyIXICTGPBRRDJPC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-2-(2-methylpropylamino)propanenitrile

2-methyl-2-(2-methylpropylamino)propanenitrile (PubChem CID 28702595) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropylamino)propanenitrile
PubChem CID28702595
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-2-(2-methylpropylamino)propanenitrile
SMILESCC(C)CNC(C)(C)C#N
InChIInChI=1S/C8H16N2/c1-7(2)5-10-8(3,4)6-9/h7,10H,5H2,1-4H3
InChIKeyIXICTGPBRRDJPC-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(2-methylpropylamino)propanenitrile (CID 28702595) is 2-methyl-2-(2-methylpropylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(2-methylpropylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(2-methylpropylamino)propanenitrile is CC(C)CNC(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(2-methylpropylamino)propanenitrile?
The InChIKey is IXICTGPBRRDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)5-10-8(3,4)6-9/h7,10H,5H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methylpropylamino)propanenitrile?
2-methyl-2-(2-methylpropylamino)propanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropylamino)propanenitrile is sourced from PubChem (CID 28702595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).