2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide

C14H21N3O — CID 106202063

IUPAC2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCCC1CCC1
InChIInChI=1S/C14H21N3O/c1-9-8-10(2)17-14(12(9)13(15)16)18-7-6-11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H3,15,16)
InChIKeyHDVXMJBVVQHYDB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.55
Rot. Bonds5

About 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide

2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 106202063) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID106202063
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1OCCC1CCC1
InChIInChI=1S/C14H21N3O/c1-9-8-10(2)17-14(12(9)13(15)16)18-7-6-11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H3,15,16)
InChIKeyHDVXMJBVVQHYDB-UHFFFAOYSA-N
XLogP2.55
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118
2-[2-(2-methoxyethoxy)ethoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 104562382
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
[2-(2-cyclobutylethoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 106199510
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
CID 61176724
2-(2-cyclobutylethoxy)-6-methylpyrimidine-4-carbothioamide
CID 106201703

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide (CID 106202063) is 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1OCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is HDVXMJBVVQHYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-8-10(2)17-14(12(9)13(15)16)18-7-6-11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H3,15,16).
What are the key properties of 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide?
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 106202063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).