2-methyl-2-(propylamino)propanenitrile

C7H14N2 — CID 12724400

IUPAC2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C)C#N
InChIInChI=1S/C7H14N2/c1-4-5-9-7(2,3)6-8/h9H,4-5H2,1-3H3
InChIKeyGBHLFBASZRNXIE-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-2-(propylamino)propanenitrile

2-methyl-2-(propylamino)propanenitrile (PubChem CID 12724400) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propylamino)propanenitrile
PubChem CID12724400
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C)C#N
InChIInChI=1S/C7H14N2/c1-4-5-9-7(2,3)6-8/h9H,4-5H2,1-3H3
InChIKeyGBHLFBASZRNXIE-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(propylamino)propanenitrile (CID 12724400) is 2-methyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(propylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(propylamino)propanenitrile is CCCNC(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(propylamino)propanenitrile?
The InChIKey is GBHLFBASZRNXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-9-7(2,3)6-8/h9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-2-(propylamino)propanenitrile?
2-methyl-2-(propylamino)propanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 12724400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).