2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile

C15H20N4 — CID 88944498

IUPAC2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCCN(C)C
InChIInChI=1S/C15H20N4/c1-12-8-14(15(10-16)11-17)9-13(2)19(12)7-5-6-18(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQZLIQUUOYITGMA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile

2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile (PubChem CID 88944498) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
PubChem CID88944498
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(C)N1CCCN(C)C
InChIInChI=1S/C15H20N4/c1-12-8-14(15(10-16)11-17)9-13(2)19(12)7-5-6-18(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQZLIQUUOYITGMA-UHFFFAOYSA-N
XLogP2.41
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile (CID 88944498) is 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile is CC1=CC(=C(C#N)C#N)C=C(C)N1CCCN(C)C.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
The InChIKey is QZLIQUUOYITGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-8-14(15(10-16)11-17)9-13(2)19(12)7-5-6-18(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile?
2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile has a molecular weight of 256.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propyl]-2,6-dimethyl-4-pyridinylidene]propanedinitrile is sourced from PubChem (CID 88944498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).