3-(hexoxymethyl)pyridine-2-carboximidamide

C13H21N3O — CID 62895257

IUPAC3-(hexoxymethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCCCCC
InChIInChI=1S/C13H21N3O/c1-2-3-4-5-9-17-10-11-7-6-8-16-12(11)13(14)15/h6-8H,2-5,9-10H2,1H3,(H3,14,15)
InChIKeyDXVBXMYHJNIHTA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds8

About 3-(hexoxymethyl)pyridine-2-carboximidamide

3-(hexoxymethyl)pyridine-2-carboximidamide (PubChem CID 62895257) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(hexoxymethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(hexoxymethyl)pyridine-2-carboximidamide
PubChem CID62895257
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(hexoxymethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COCCCCCC
InChIInChI=1S/C13H21N3O/c1-2-3-4-5-9-17-10-11-7-6-8-16-12(11)13(14)15/h6-8H,2-5,9-10H2,1H3,(H3,14,15)
InChIKeyDXVBXMYHJNIHTA-UHFFFAOYSA-N
XLogP2.46
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
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

3-[3-(2-methoxyethoxy)propoxymethyl]pyridine-2-carboximidamide
CID 103402875
3-(pentoxymethyl)pyridine-2-carbothioamide
CID 62894304
3-(2-ethylhexoxymethyl)pyridine-2-carboximidamide
CID 62894918
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
2-hexoxypyridine-3-carboximidamide
CID 29002899
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 62893551
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065

Frequently Asked Questions

What is the IUPAC name of 3-(hexoxymethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-(hexoxymethyl)pyridine-2-carboximidamide (CID 62895257) is 3-(hexoxymethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(hexoxymethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(hexoxymethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COCCCCCC.
What is the InChIKey of 3-(hexoxymethyl)pyridine-2-carboximidamide?
The InChIKey is DXVBXMYHJNIHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-4-5-9-17-10-11-7-6-8-16-12(11)13(14)15/h6-8H,2-5,9-10H2,1H3,(H3,14,15).
What are the key properties of 3-(hexoxymethyl)pyridine-2-carboximidamide?
3-(hexoxymethyl)pyridine-2-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexoxymethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 62895257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).