6-cyclohexyloxypyridine-2-carboximidamide

C12H17N3O — CID 53485053

IUPAC6-cyclohexyloxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OC2CCCCC2)n1
InChIInChI=1S/C12H17N3O/c13-12(14)10-7-4-8-11(15-10)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H3,13,14)
InChIKeyBOTLEPWJURLFGF-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.08
Rot. Bonds3

About 6-cyclohexyloxypyridine-2-carboximidamide

6-cyclohexyloxypyridine-2-carboximidamide (PubChem CID 53485053) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-cyclohexyloxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-cyclohexyloxypyridine-2-carboximidamide
PubChem CID53485053
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-cyclohexyloxypyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OC2CCCCC2)n1
InChIInChI=1S/C12H17N3O/c13-12(14)10-7-4-8-11(15-10)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H3,13,14)
InChIKeyBOTLEPWJURLFGF-UHFFFAOYSA-N
XLogP2.08
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.08
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-cyclohexyloxypyridine-2-carboximidamide?
The IUPAC name of 6-cyclohexyloxypyridine-2-carboximidamide (CID 53485053) is 6-cyclohexyloxypyridine-2-carboximidamide.
What is the SMILES notation for 6-cyclohexyloxypyridine-2-carboximidamide?
The canonical SMILES for 6-cyclohexyloxypyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(OC2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyloxypyridine-2-carboximidamide?
The InChIKey is BOTLEPWJURLFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(14)10-7-4-8-11(15-10)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H3,13,14).
What are the key properties of 6-cyclohexyloxypyridine-2-carboximidamide?
6-cyclohexyloxypyridine-2-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxypyridine-2-carboximidamide is sourced from PubChem (CID 53485053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).