3-butan-2-yl-2,3-dihydroquinoxalin-6-amine

C12H17N3 — CID 134312139

IUPAC3-butan-2-yl-2,3-dihydroquinoxalin-6-amine
SMILESCCC(C)C1CN=c2ccc(N)cc2=N1
InChIInChI=1S/C12H17N3/c1-3-8(2)12-7-14-10-5-4-9(13)6-11(10)15-12/h4-6,8,12H,3,7,13H2,1-2H3
InChIKeyQZCKGDWBVPFLLH-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.94
Rot. Bonds2

About 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine

3-butan-2-yl-2,3-dihydroquinoxalin-6-amine (PubChem CID 134312139) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine.

Molecular Properties

Compound Name3-butan-2-yl-2,3-dihydroquinoxalin-6-amine
PubChem CID134312139
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-butan-2-yl-2,3-dihydroquinoxalin-6-amine
SMILESCCC(C)C1CN=c2ccc(N)cc2=N1
InChIInChI=1S/C12H17N3/c1-3-8(2)12-7-14-10-5-4-9(13)6-11(10)15-12/h4-6,8,12H,3,7,13H2,1-2H3
InChIKeyQZCKGDWBVPFLLH-UHFFFAOYSA-N
XLogP0.94
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine?
The IUPAC name of 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine (CID 134312139) is 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine.
What is the SMILES notation for 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine?
The canonical SMILES for 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine is CCC(C)C1CN=c2ccc(N)cc2=N1.
What is the InChIKey of 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine?
The InChIKey is QZCKGDWBVPFLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-8(2)12-7-14-10-5-4-9(13)6-11(10)15-12/h4-6,8,12H,3,7,13H2,1-2H3.
What are the key properties of 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine?
3-butan-2-yl-2,3-dihydroquinoxalin-6-amine has a molecular weight of 203.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2,3-dihydroquinoxalin-6-amine is sourced from PubChem (CID 134312139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).