1-methyl-2,3-di(propan-2-yl)pyridin-1-ium

C12H20N+ — CID 140930937

IUPAC1-methyl-2,3-di(propan-2-yl)pyridin-1-ium
SMILESCC(C)c1ccc[n+](C)c1C(C)C
InChIInChI=1S/C12H20N/c1-9(2)11-7-6-8-13(5)12(11)10(3)4/h6-10H,1-5H3/q+1
InChIKeyNXMHJEFEMUPXMH-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.76
Rot. Bonds2

About 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium

1-methyl-2,3-di(propan-2-yl)pyridin-1-ium (PubChem CID 140930937) has the molecular formula C12H20N+ and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2,3-di(propan-2-yl)pyridin-1-ium
PubChem CID140930937
Molecular FormulaC12H20N+
Molecular Weight178.30 g/mol
Exact Mass178.16
IUPAC Name1-methyl-2,3-di(propan-2-yl)pyridin-1-ium
SMILESCC(C)c1ccc[n+](C)c1C(C)C
InChIInChI=1S/C12H20N/c1-9(2)11-7-6-8-13(5)12(11)10(3)4/h6-10H,1-5H3/q+1
InChIKeyNXMHJEFEMUPXMH-UHFFFAOYSA-N
XLogP2.76
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-6-propan-2-ylquinolin-1-ium
CID 2732906
CID 136741886
CID 136741886
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2-methyl-1-[[4-[(2-methyl-8-propan-2-ylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]-8-propan-2-ylisoquinolin-2-ium
CID 57390846
bis[2,6-di(propan-2-yl)phenyl]phosphanide
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1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
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bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium (CID 140930937) is 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium is CC(C)c1ccc[n+](C)c1C(C)C.
What is the InChIKey of 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium?
The InChIKey is NXMHJEFEMUPXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N/c1-9(2)11-7-6-8-13(5)12(11)10(3)4/h6-10H,1-5H3/q+1.
What are the key properties of 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium?
1-methyl-2,3-di(propan-2-yl)pyridin-1-ium has a molecular weight of 178.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-di(propan-2-yl)pyridin-1-ium is sourced from PubChem (CID 140930937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).