2-hexoxypyridine-3-carboximidamide

C12H19N3O — CID 29002899

IUPAC2-hexoxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCCCCCC
InChIInChI=1S/C12H19N3O/c1-2-3-4-5-9-16-12-10(11(13)14)7-6-8-15-12/h6-8H,2-5,9H2,1H3,(H3,13,14)
InChIKeyDTNFITUVJRJWKN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds7

About 2-hexoxypyridine-3-carboximidamide

2-hexoxypyridine-3-carboximidamide (PubChem CID 29002899) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-hexoxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-hexoxypyridine-3-carboximidamide
PubChem CID29002899
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-hexoxypyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCCCCCC
InChIInChI=1S/C12H19N3O/c1-2-3-4-5-9-16-12-10(11(13)14)7-6-8-15-12/h6-8H,2-5,9H2,1H3,(H3,13,14)
InChIKeyDTNFITUVJRJWKN-UHFFFAOYSA-N
XLogP2.32
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
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-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-butoxypyrazine-2-carboximidamide
CID 62685425
2,3-didecoxypyridine
CID 151922374
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
6-heptoxypyridine-2-carboximidamide
CID 64594210

Frequently Asked Questions

What is the IUPAC name of 2-hexoxypyridine-3-carboximidamide?
The IUPAC name of 2-hexoxypyridine-3-carboximidamide (CID 29002899) is 2-hexoxypyridine-3-carboximidamide.
What is the SMILES notation for 2-hexoxypyridine-3-carboximidamide?
The canonical SMILES for 2-hexoxypyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1OCCCCCC.
What is the InChIKey of 2-hexoxypyridine-3-carboximidamide?
The InChIKey is DTNFITUVJRJWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-5-9-16-12-10(11(13)14)7-6-8-15-12/h6-8H,2-5,9H2,1H3,(H3,13,14).
What are the key properties of 2-hexoxypyridine-3-carboximidamide?
2-hexoxypyridine-3-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxypyridine-3-carboximidamide is sourced from PubChem (CID 29002899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).