4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile

C16H24N2O — CID 63512377

IUPAC4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
SMILESCCCCCCC(C)Oc1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H24N2O/c1-5-6-7-8-9-14(4)19-16-15(11-17)12(2)10-13(3)18-16/h10,14H,5-9H2,1-4H3
InChIKeyYVIRRTPHQVNYCY-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.31
Rot. Bonds7

About 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile

4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile (PubChem CID 63512377) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
PubChem CID63512377
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
SMILESCCCCCCC(C)Oc1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H24N2O/c1-5-6-7-8-9-14(4)19-16-15(11-17)12(2)10-13(3)18-16/h10,14H,5-9H2,1-4H3
InChIKeyYVIRRTPHQVNYCY-UHFFFAOYSA-N
XLogP4.31
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
CID 63510639
4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
CID 61176731
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
CID 107546085
4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile
CID 61177837
N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
CID 80861672
2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 115505507
6-octan-2-yloxypyridine-3-carbonitrile
CID 43128061
3-methyl-4-octan-2-yloxybenzaldehyde
CID 79117369
2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177452
2-bromo-4-octan-2-yloxybenzonitrile
CID 107276955
2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 61176862

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile (CID 63512377) is 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile is CCCCCCC(C)Oc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile?
The InChIKey is YVIRRTPHQVNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-6-7-8-9-14(4)19-16-15(11-17)12(2)10-13(3)18-16/h10,14H,5-9H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile?
4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 63512377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).