6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine

C20H23Cl2N5 — CID 166992677

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ncc(N2CCC3(CCCC3)CC2)nc1N
InChIInChI=1S/C20H23Cl2N5/c21-14-4-3-13(11-15(14)22)17(23)18-19(24)26-16(12-25-18)27-9-7-20(8-10-27)5-1-2-6-20/h3-4,11-12,23H,1-2,5-10H2,(H2,24,26)/b23-17+
InChIKeyLGRCVWKJTWUAJH-HAVVHWLPSA-N
MW404.35 g/mol
LogP4.94
Rot. Bonds3

About 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine

6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine (PubChem CID 166992677) has the molecular formula C20H23Cl2N5 and a molecular weight of 404.35 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
PubChem CID166992677
Molecular FormulaC20H23Cl2N5
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ncc(N2CCC3(CCCC3)CC2)nc1N
InChIInChI=1S/C20H23Cl2N5/c21-14-4-3-13(11-15(14)22)17(23)18-19(24)26-16(12-25-18)27-9-7-20(8-10-27)5-1-2-6-20/h3-4,11-12,23H,1-2,5-10H2,(H2,24,26)/b23-17+
InChIKeyLGRCVWKJTWUAJH-HAVVHWLPSA-N
XLogP4.94
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine (CID 166992677) is 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine is [H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ncc(N2CCC3(CCCC3)CC2)nc1N.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine?
The InChIKey is LGRCVWKJTWUAJH-HAVVHWLPSA-N. The full InChI is InChI=1S/C20H23Cl2N5/c21-14-4-3-13(11-15(14)22)17(23)18-19(24)26-16(12-25-18)27-9-7-20(8-10-27)5-1-2-6-20/h3-4,11-12,23H,1-2,5-10H2,(H2,24,26)/b23-17+.
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine?
6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine has a molecular weight of 404.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 166992677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).