2-(propylamino)propanenitrile

C6H12N2 — CID 12724398

IUPAC2-(propylamino)propanenitrile
SMILESCCCNC(C)C#N
InChIInChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h6,8H,3-4H2,1-2H3
InChIKeyYLKVFUGRWQHSBV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.90
Rot. Bonds3

About 2-(propylamino)propanenitrile

2-(propylamino)propanenitrile (PubChem CID 12724398) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-(propylamino)propanenitrile
PubChem CID12724398
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-(propylamino)propanenitrile
SMILESCCCNC(C)C#N
InChIInChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h6,8H,3-4H2,1-2H3
InChIKeyYLKVFUGRWQHSBV-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)propanenitrile?
The IUPAC name of 2-(propylamino)propanenitrile (CID 12724398) is 2-(propylamino)propanenitrile.
What is the SMILES notation for 2-(propylamino)propanenitrile?
The canonical SMILES for 2-(propylamino)propanenitrile is CCCNC(C)C#N.
What is the InChIKey of 2-(propylamino)propanenitrile?
The InChIKey is YLKVFUGRWQHSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h6,8H,3-4H2,1-2H3.
What are the key properties of 2-(propylamino)propanenitrile?
2-(propylamino)propanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)propanenitrile is sourced from PubChem (CID 12724398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).