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

C16H27N3O — CID 61176731

IUPAC4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OC(C)CCCCCC
InChIInChI=1S/C16H27N3O/c1-5-6-7-8-9-13(4)20-16-14(15(17)18)11(2)10-12(3)19-16/h10,13H,5-9H2,1-4H3,(H3,17,18)
InChIKeyGRFNUHYMWKVIMY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.72
Rot. Bonds8

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

4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide (PubChem CID 61176731) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
PubChem CID61176731
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OC(C)CCCCCC
InChIInChI=1S/C16H27N3O/c1-5-6-7-8-9-13(4)20-16-14(15(17)18)11(2)10-12(3)19-16/h10,13H,5-9H2,1-4H3,(H3,17,18)
InChIKeyGRFNUHYMWKVIMY-UHFFFAOYSA-N
XLogP3.72
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
CID 63512377
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
4-methoxy-2-octan-2-yloxybenzenecarboximidamide
CID 81303227
4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide (CID 61176731) is 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OC(C)CCCCCC.
What is the InChIKey of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide?
The InChIKey is GRFNUHYMWKVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-6-7-8-9-13(4)20-16-14(15(17)18)11(2)10-12(3)19-16/h10,13H,5-9H2,1-4H3,(H3,17,18).
What are the key properties of 4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide?
4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide has a molecular weight of 277.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 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-carboximidamide is sourced from PubChem (CID 61176731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).