4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium

C10H15N2+ — CID 123957904

IUPAC4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium
SMILESC[N+]1(C)C=CN=C2C=CCCC21
InChIInChI=1S/C10H15N2/c1-12(2)8-7-11-9-5-3-4-6-10(9)12/h3,5,7-8,10H,4,6H2,1-2H3/q+1
InChIKeyNYNDBOXZONRDIP-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.71
Rot. Bonds

About 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium

4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium (PubChem CID 123957904) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium.

Molecular Properties

Compound Name4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium
PubChem CID123957904
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium
SMILESC[N+]1(C)C=CN=C2C=CCCC21
InChIInChI=1S/C10H15N2/c1-12(2)8-7-11-9-5-3-4-6-10(9)12/h3,5,7-8,10H,4,6H2,1-2H3/q+1
InChIKeyNYNDBOXZONRDIP-UHFFFAOYSA-N
XLogP1.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3,4-dihydroquinolizin-2-imine
CID 145918539
1-methyl-2-[(E)-4-(1-methyl-2,3-dihydropyrrol-2-yl)but-1-enyl]-3H-pyrrol-1-ium
CID 20665825
(3E)-2-ethyl-3-ethylidene-N-methyl-N-propyl-4H-pyridin-4-amine
CID 132195135
(Z)-5-ethenylimino-N-ethyl-N-methyloct-6-en-1-amine
CID 134386167
3-Methyl-2-methylidene-1-prop-2-enyl-5,6,7,8-tetrahydroquinoxaline
CID 142527752
N-methyl-1-(1-methyl-2H-pyridin-2-yl)propan-1-imine
CID 146647272
3,4-dimethyl-4aH-quinoxaline
CID 149289450
2,4-dimethyl-4aH-quinoxaline
CID 141879012

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium?
The IUPAC name of 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium (CID 123957904) is 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium.
What is the SMILES notation for 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium?
The canonical SMILES for 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium is C[N+]1(C)C=CN=C2C=CCCC21.
What is the InChIKey of 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium?
The InChIKey is NYNDBOXZONRDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-12(2)8-7-11-9-5-3-4-6-10(9)12/h3,5,7-8,10H,4,6H2,1-2H3/q+1.
What are the key properties of 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium?
4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium has a molecular weight of 163.24 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5,6-dihydro-4aH-quinoxalin-4-ium is sourced from PubChem (CID 123957904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).