7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine

C15H17N3 — CID 79330772

IUPAC7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine
SMILESNC1(c2ccc3nccnc3c2)C2CCCCC21
InChIInChI=1S/C15H17N3/c16-15(11-3-1-2-4-12(11)15)10-5-6-13-14(9-10)18-8-7-17-13/h5-9,11-12H,1-4,16H2
InChIKeyBQKWKVHIVZSGFO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.60
Rot. Bonds1

About 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine

7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine (PubChem CID 79330772) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine
PubChem CID79330772
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine
SMILESNC1(c2ccc3nccnc3c2)C2CCCCC21
InChIInChI=1S/C15H17N3/c16-15(11-3-1-2-4-12(11)15)10-5-6-13-14(9-10)18-8-7-17-13/h5-9,11-12H,1-4,16H2
InChIKeyBQKWKVHIVZSGFO-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine (CID 79330772) is 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine is NC1(c2ccc3nccnc3c2)C2CCCCC21.
What is the InChIKey of 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine?
The InChIKey is BQKWKVHIVZSGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-15(11-3-1-2-4-12(11)15)10-5-6-13-14(9-10)18-8-7-17-13/h5-9,11-12H,1-4,16H2.
What are the key properties of 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine?
7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine has a molecular weight of 239.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinoxalin-6-ylbicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79330772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).