3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine

C15H20N4 — CID 102984543

IUPAC3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
SMILESCC1CCC(Nc2nc3ccccc3nc2N)C1C
InChIInChI=1S/C15H20N4/c1-9-7-8-11(10(9)2)18-15-14(16)17-12-5-3-4-6-13(12)19-15/h3-6,9-11H,7-8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyJERJBQLJBHQLQK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.06
Rot. Bonds2

About 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine

3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine (PubChem CID 102984543) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
PubChem CID102984543
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
SMILESCC1CCC(Nc2nc3ccccc3nc2N)C1C
InChIInChI=1S/C15H20N4/c1-9-7-8-11(10(9)2)18-15-14(16)17-12-5-3-4-6-13(12)19-15/h3-6,9-11H,7-8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyJERJBQLJBHQLQK-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine (CID 102984543) is 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine is CC1CCC(Nc2nc3ccccc3nc2N)C1C.
What is the InChIKey of 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
The InChIKey is JERJBQLJBHQLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9-7-8-11(10(9)2)18-15-14(16)17-12-5-3-4-6-13(12)19-15/h3-6,9-11H,7-8H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102984543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).