1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium

C13H24N2+2 — CID 58759437

IUPAC1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium
SMILESCC1=C2C(=C(C)C1)[N+](C)(C)CC[N+]2(C)C
InChIInChI=1S/C13H24N2/c1-10-9-11(2)13-12(10)14(3,4)7-8-15(13,5)6/h7-9H2,1-6H3/q+2
InChIKeyQVGNACRVOMASNB-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.10
Rot. Bonds

About 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium

1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium (PubChem CID 58759437) has the molecular formula C13H24N2+2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium.

Molecular Properties

Compound Name1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium
PubChem CID58759437
Molecular FormulaC13H24N2+2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium
SMILESCC1=C2C(=C(C)C1)[N+](C)(C)CC[N+]2(C)C
InChIInChI=1S/C13H24N2/c1-10-9-11(2)13-12(10)14(3,4)7-8-15(13,5)6/h7-9H2,1-6H3/q+2
InChIKeyQVGNACRVOMASNB-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium?
The IUPAC name of 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium (CID 58759437) is 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium.
What is the SMILES notation for 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium?
The canonical SMILES for 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium is CC1=C2C(=C(C)C1)[N+](C)(C)CC[N+]2(C)C.
What is the InChIKey of 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium?
The InChIKey is QVGNACRVOMASNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-9-11(2)13-12(10)14(3,4)7-8-15(13,5)6/h7-9H2,1-6H3/q+2.
What are the key properties of 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium?
1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium has a molecular weight of 208.35 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium is sourced from PubChem (CID 58759437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).