6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile

C15H24N2 — CID 129100598

IUPAC6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile
SMILESCCCCCCCCC1=CC(C#N)=C(C)NC1
InChIInChI=1S/C15H24N2/c1-3-4-5-6-7-8-9-14-10-15(11-16)13(2)17-12-14/h10,17H,3-9,12H2,1-2H3
InChIKeyBACZJAZTFUDSGO-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.06
Rot. Bonds7

About 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile

6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile (PubChem CID 129100598) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile
PubChem CID129100598
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile
SMILESCCCCCCCCC1=CC(C#N)=C(C)NC1
InChIInChI=1S/C15H24N2/c1-3-4-5-6-7-8-9-14-10-15(11-16)13(2)17-12-14/h10,17H,3-9,12H2,1-2H3
InChIKeyBACZJAZTFUDSGO-UHFFFAOYSA-N
XLogP4.06
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile (CID 129100598) is 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile is CCCCCCCCC1=CC(C#N)=C(C)NC1.
What is the InChIKey of 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile?
The InChIKey is BACZJAZTFUDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-5-6-7-8-9-14-10-15(11-16)13(2)17-12-14/h10,17H,3-9,12H2,1-2H3.
What are the key properties of 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile?
6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile has a molecular weight of 232.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 129100598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).