6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide

C14H21N3O — CID 64595989

IUPAC6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OC2CCCC(CC)C2)n1
InChIInChI=1S/C14H21N3O/c1-2-10-5-3-6-11(9-10)18-13-8-4-7-12(17-13)14(15)16/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H3,15,16)
InChIKeyOZNKJEGHBGQDAV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds4

About 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide

6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide (PubChem CID 64595989) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide
PubChem CID64595989
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OC2CCCC(CC)C2)n1
InChIInChI=1S/C14H21N3O/c1-2-10-5-3-6-11(9-10)18-13-8-4-7-12(17-13)14(15)16/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H3,15,16)
InChIKeyOZNKJEGHBGQDAV-UHFFFAOYSA-N
XLogP2.71
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide?
The IUPAC name of 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide (CID 64595989) is 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide.
What is the SMILES notation for 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide?
The canonical SMILES for 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(OC2CCCC(CC)C2)n1.
What is the InChIKey of 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide?
The InChIKey is OZNKJEGHBGQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-10-5-3-6-11(9-10)18-13-8-4-7-12(17-13)14(15)16/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H3,15,16).
What are the key properties of 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide?
6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylcyclohexyl)oxypyridine-2-carboximidamide is sourced from PubChem (CID 64595989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).