1,4-dimethyl-2,3-dihydroquinoxalin-6-amine

C10H15N3 — CID 96742097

IUPAC1,4-dimethyl-2,3-dihydroquinoxalin-6-amine
SMILESCN1CCN(C)c2cc(N)ccc21
InChIInChI=1S/C10H15N3/c1-12-5-6-13(2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,11H2,1-2H3
InChIKeyHAZSHHQJIKQJSM-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.15
Rot. Bonds

About 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine

1,4-dimethyl-2,3-dihydroquinoxalin-6-amine (PubChem CID 96742097) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine.

Molecular Properties

Compound Name1,4-dimethyl-2,3-dihydroquinoxalin-6-amine
PubChem CID96742097
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1,4-dimethyl-2,3-dihydroquinoxalin-6-amine
SMILESCN1CCN(C)c2cc(N)ccc21
InChIInChI=1S/C10H15N3/c1-12-5-6-13(2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,11H2,1-2H3
InChIKeyHAZSHHQJIKQJSM-UHFFFAOYSA-N
XLogP1.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine?
The IUPAC name of 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine (CID 96742097) is 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine.
What is the SMILES notation for 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine?
The canonical SMILES for 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine is CN1CCN(C)c2cc(N)ccc21.
What is the InChIKey of 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine?
The InChIKey is HAZSHHQJIKQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-12-5-6-13(2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine?
1,4-dimethyl-2,3-dihydroquinoxalin-6-amine has a molecular weight of 177.25 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,3-dihydroquinoxalin-6-amine is sourced from PubChem (CID 96742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).