6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide

C12H19N3O — CID 66232264

IUPAC6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCC(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-12(2,3)7-8-16-10-6-4-5-9(15-10)11(13)14/h4-6H,7-8H2,1-3H3,(H3,13,14)
InChIKeyPLMLHFLTKWJMMC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds4

About 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide

6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide (PubChem CID 66232264) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
PubChem CID66232264
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCC(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-12(2,3)7-8-16-10-6-4-5-9(15-10)11(13)14/h4-6H,7-8H2,1-3H3,(H3,13,14)
InChIKeyPLMLHFLTKWJMMC-UHFFFAOYSA-N
XLogP2.18
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
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

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
CID 112587765
6-heptoxypyridine-2-carboximidamide
CID 64594210
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66231549
pyridine-2,6-dicarboximidamide
CID 23373306
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
CID 66234998
[6-(3,3-dimethylbutoxy)-2-pyridinyl]oxyboronic acid
CID 178066328
2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
CID 66232512
6-(2,6-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64596167
6-(3,5-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64594798
6-(3,3-dimethylbutoxy)-N-ethylpyridin-2-amine
CID 80878218

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide?
The IUPAC name of 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide (CID 66232264) is 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide?
The canonical SMILES for 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(OCCC(C)(C)C)n1.
What is the InChIKey of 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide?
The InChIKey is PLMLHFLTKWJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)7-8-16-10-6-4-5-9(15-10)11(13)14/h4-6H,7-8H2,1-3H3,(H3,13,14).
What are the key properties of 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide?
6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 66232264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).