1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium

C10H21N2+ — CID 59888712

IUPAC1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium
SMILESCC(C)N1CC[N+](C)=CC1(C)C
InChIInChI=1S/C10H21N2/c1-9(2)12-7-6-11(5)8-10(12,3)4/h8-9H,6-7H2,1-5H3/q+1
InChIKeyJHIXFIMHHCEIHH-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.20
Rot. Bonds1

About 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium

1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium (PubChem CID 59888712) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium.

Molecular Properties

Compound Name1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium
PubChem CID59888712
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium
SMILESCC(C)N1CC[N+](C)=CC1(C)C
InChIInChI=1S/C10H21N2/c1-9(2)12-7-6-11(5)8-10(12,3)4/h8-9H,6-7H2,1-5H3/q+1
InChIKeyJHIXFIMHHCEIHH-UHFFFAOYSA-N
XLogP1.20
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium?
The IUPAC name of 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium (CID 59888712) is 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium.
What is the SMILES notation for 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium?
The canonical SMILES for 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium is CC(C)N1CC[N+](C)=CC1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium?
The InChIKey is JHIXFIMHHCEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2/c1-9(2)12-7-6-11(5)8-10(12,3)4/h8-9H,6-7H2,1-5H3/q+1.
What are the key properties of 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium?
1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium has a molecular weight of 169.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium is sourced from PubChem (CID 59888712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).