2-[1-(ethylamino)propylidene]propanedinitrile

C8H11N3 — CID 55299027

IUPAC2-[1-(ethylamino)propylidene]propanedinitrile
SMILESCCNC(CC)=C(C#N)C#N
InChIInChI=1S/C8H11N3/c1-3-8(11-4-2)7(5-9)6-10/h11H,3-4H2,1-2H3
InChIKeyCRCSZJGONPFVIE-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.31
Rot. Bonds3

About 2-[1-(ethylamino)propylidene]propanedinitrile

2-[1-(ethylamino)propylidene]propanedinitrile (PubChem CID 55299027) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-[1-(ethylamino)propylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-(ethylamino)propylidene]propanedinitrile
PubChem CID55299027
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-[1-(ethylamino)propylidene]propanedinitrile
SMILESCCNC(CC)=C(C#N)C#N
InChIInChI=1S/C8H11N3/c1-3-8(11-4-2)7(5-9)6-10/h11H,3-4H2,1-2H3
InChIKeyCRCSZJGONPFVIE-UHFFFAOYSA-N
XLogP1.31
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)propylidene]propanedinitrile?
The IUPAC name of 2-[1-(ethylamino)propylidene]propanedinitrile (CID 55299027) is 2-[1-(ethylamino)propylidene]propanedinitrile.
What is the SMILES notation for 2-[1-(ethylamino)propylidene]propanedinitrile?
The canonical SMILES for 2-[1-(ethylamino)propylidene]propanedinitrile is CCNC(CC)=C(C#N)C#N.
What is the InChIKey of 2-[1-(ethylamino)propylidene]propanedinitrile?
The InChIKey is CRCSZJGONPFVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-8(11-4-2)7(5-9)6-10/h11H,3-4H2,1-2H3.
What are the key properties of 2-[1-(ethylamino)propylidene]propanedinitrile?
2-[1-(ethylamino)propylidene]propanedinitrile has a molecular weight of 149.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)propylidene]propanedinitrile is sourced from PubChem (CID 55299027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).