2-cinnolin-8-ylethanamine

C10H11N3 — CID 68501199

IUPAC2-cinnolin-8-ylethanamine
SMILESNCCc1cccc2ccnnc12
InChIInChI=1S/C10H11N3/c11-6-4-8-2-1-3-9-5-7-12-13-10(8)9/h1-3,5,7H,4,6,11H2
InChIKeyPGBBYSUQQCPUIQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.13
Rot. Bonds2

About 2-cinnolin-8-ylethanamine

2-cinnolin-8-ylethanamine (PubChem CID 68501199) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-cinnolin-8-ylethanamine.

Molecular Properties

Compound Name2-cinnolin-8-ylethanamine
PubChem CID68501199
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-cinnolin-8-ylethanamine
SMILESNCCc1cccc2ccnnc12
InChIInChI=1S/C10H11N3/c11-6-4-8-2-1-3-9-5-7-12-13-10(8)9/h1-3,5,7H,4,6,11H2
InChIKeyPGBBYSUQQCPUIQ-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-8-ylethanamine?
The IUPAC name of 2-cinnolin-8-ylethanamine (CID 68501199) is 2-cinnolin-8-ylethanamine.
What is the SMILES notation for 2-cinnolin-8-ylethanamine?
The canonical SMILES for 2-cinnolin-8-ylethanamine is NCCc1cccc2ccnnc12.
What is the InChIKey of 2-cinnolin-8-ylethanamine?
The InChIKey is PGBBYSUQQCPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-4-8-2-1-3-9-5-7-12-13-10(8)9/h1-3,5,7H,4,6,11H2.
What are the key properties of 2-cinnolin-8-ylethanamine?
2-cinnolin-8-ylethanamine has a molecular weight of 173.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-8-ylethanamine is sourced from PubChem (CID 68501199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).