6-heptoxypyridine-2-carboximidamide

C13H21N3O — CID 64594210

IUPAC6-heptoxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCCCCCC)n1
InChIInChI=1S/C13H21N3O/c1-2-3-4-5-6-10-17-12-9-7-8-11(16-12)13(14)15/h7-9H,2-6,10H2,1H3,(H3,14,15)
InChIKeyCRHYGQFUWCEYSQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.71
Rot. Bonds8

About 6-heptoxypyridine-2-carboximidamide

6-heptoxypyridine-2-carboximidamide (PubChem CID 64594210) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-heptoxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-heptoxypyridine-2-carboximidamide
PubChem CID64594210
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-heptoxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCCCCCC)n1
InChIInChI=1S/C13H21N3O/c1-2-3-4-5-6-10-17-12-9-7-8-11(16-12)13(14)15/h7-9H,2-6,10H2,1H3,(H3,14,15)
InChIKeyCRHYGQFUWCEYSQ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
CID 66232264
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
CID 112587765
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
pyridine-2,6-dicarboximidamide
CID 23373306
2-hexoxypyridine-3-carboximidamide
CID 29002899
6-(thiophen-2-ylmethoxy)pyridine-2-carboximidamide
CID 64593634
2-methyl-6-pentoxypyridine-4-carboximidamide
CID 114769287
6-ethylpyridine-2-carboximidamide
CID 14253206
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
2,6-dibutoxypyridine
CID 67437244
4-octoxybenzenecarboximidamide
CID 3302492
2-methyl-6-pentoxypyridine
CID 165358855

Frequently Asked Questions

What is the IUPAC name of 6-heptoxypyridine-2-carboximidamide?
The IUPAC name of 6-heptoxypyridine-2-carboximidamide (CID 64594210) is 6-heptoxypyridine-2-carboximidamide.
What is the SMILES notation for 6-heptoxypyridine-2-carboximidamide?
The canonical SMILES for 6-heptoxypyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(OCCCCCCC)n1.
What is the InChIKey of 6-heptoxypyridine-2-carboximidamide?
The InChIKey is CRHYGQFUWCEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-4-5-6-10-17-12-9-7-8-11(16-12)13(14)15/h7-9H,2-6,10H2,1H3,(H3,14,15).
What are the key properties of 6-heptoxypyridine-2-carboximidamide?
6-heptoxypyridine-2-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxypyridine-2-carboximidamide is sourced from PubChem (CID 64594210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).