3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium

C11H23N2+ — CID 58677836

IUPAC3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium
SMILESCC(C)N1CC=[N+](C(C)C)CC1C
InChIInChI=1S/C11H23N2/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6,9-11H,7-8H2,1-5H3/q+1
InChIKeyAKLZOGFUBSWODS-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium

3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium (PubChem CID 58677836) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium.

Molecular Properties

Compound Name3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium
PubChem CID58677836
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Name3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium
SMILESCC(C)N1CC=[N+](C(C)C)CC1C
InChIInChI=1S/C11H23N2/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6,9-11H,7-8H2,1-5H3/q+1
InChIKeyAKLZOGFUBSWODS-UHFFFAOYSA-N
XLogP1.59
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.59
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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Related Compounds

N-methyl-2-(4-propylpiperazin-1-yl)ethanimine
CID 20806281
3,4-dimethyl-3,5-dihydro-2H-pyrazine
CID 56616260
1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium
CID 57565219
2,4,6-trimethyl-3,5-dihydro-2H-pyrazine
CID 57999535
1,5,5-Trimethyl-4-propan-2-yl-2,3-dihydropyrazin-1-ium
CID 59888712
(3S)-N,N,3-trimethyl-2,3-dihydropyrazin-2-amine
CID 67991660
2-(2,4-dimethylpiperazin-1-yl)-N-methylethanimine
CID 90883137
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-2-imine
CID 91502102
1-(ethylideneamino)-N,N-dimethylpentan-2-amine
CID 91539104
5-ethyl-2,3,4-trimethyl-3,5-dihydro-2H-pyrazine
CID 123233214
N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine
CID 123243004
2,4-dimethyl-3,5-dihydro-2H-pyrazine
CID 123465573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium?
The IUPAC name of 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium (CID 58677836) is 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium.
What is the SMILES notation for 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium?
The canonical SMILES for 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium is CC(C)N1CC=[N+](C(C)C)CC1C.
What is the InChIKey of 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium?
The InChIKey is AKLZOGFUBSWODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6,9-11H,7-8H2,1-5H3/q+1.
What are the key properties of 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium?
3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium has a molecular weight of 183.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-di(propan-2-yl)-3,5-dihydro-2H-pyrazin-1-ium is sourced from PubChem (CID 58677836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).