2-[1-(dimethylamino)ethyl]propanedinitrile

C7H11N3 — CID 130233767

IUPAC2-[1-(dimethylamino)ethyl]propanedinitrile
SMILESCC(C(C#N)C#N)N(C)C
InChIInChI=1S/C7H11N3/c1-6(10(2)3)7(4-8)5-9/h6-7H,1-3H3
InChIKeyJXKXDCBPVWNKGS-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.60
Rot. Bonds2

About 2-[1-(dimethylamino)ethyl]propanedinitrile

2-[1-(dimethylamino)ethyl]propanedinitrile (PubChem CID 130233767) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl]propanedinitrile.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl]propanedinitrile
PubChem CID130233767
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-[1-(dimethylamino)ethyl]propanedinitrile
SMILESCC(C(C#N)C#N)N(C)C
InChIInChI=1S/C7H11N3/c1-6(10(2)3)7(4-8)5-9/h6-7H,1-3H3
InChIKeyJXKXDCBPVWNKGS-UHFFFAOYSA-N
XLogP0.60
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethyl]propanedinitrile?
The IUPAC name of 2-[1-(dimethylamino)ethyl]propanedinitrile (CID 130233767) is 2-[1-(dimethylamino)ethyl]propanedinitrile.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl]propanedinitrile?
The canonical SMILES for 2-[1-(dimethylamino)ethyl]propanedinitrile is CC(C(C#N)C#N)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)ethyl]propanedinitrile?
The InChIKey is JXKXDCBPVWNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6(10(2)3)7(4-8)5-9/h6-7H,1-3H3.
What are the key properties of 2-[1-(dimethylamino)ethyl]propanedinitrile?
2-[1-(dimethylamino)ethyl]propanedinitrile has a molecular weight of 137.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethyl]propanedinitrile is sourced from PubChem (CID 130233767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).