4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide

C15H19ClN2O2 — CID 114323579

IUPAC4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClN2O2/c16-10-2-3-12(14(17)18)13(8-10)20-11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11H,1,4-7,9H2,(H3,17,18)
InChIKeyKWWGERANOFDLKH-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide

4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide (PubChem CID 114323579) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
PubChem CID114323579
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClN2O2/c16-10-2-3-12(14(17)18)13(8-10)20-11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11H,1,4-7,9H2,(H3,17,18)
InChIKeyKWWGERANOFDLKH-UHFFFAOYSA-N
XLogP3.10
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.10
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 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide (CID 114323579) is 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
The InChIKey is KWWGERANOFDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-10-2-3-12(14(17)18)13(8-10)20-11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11H,1,4-7,9H2,(H3,17,18).
What are the key properties of 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide?
4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide has a molecular weight of 294.78 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide is sourced from PubChem (CID 114323579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).