1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide

C10H15N — CID 21022302

IUPAC1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide
SMILESCc1[c-][n+](C)c(C)c(C)c1C
InChIInChI=1S/C10H15N/c1-7-6-11(5)10(4)9(3)8(7)2/h1-5H3
InChIKeyNPMKDQGXGGZMMD-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.54
Rot. Bonds

About 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide

1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide (PubChem CID 21022302) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide.

Molecular Properties

Compound Name1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide
PubChem CID21022302
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide
SMILESCc1[c-][n+](C)c(C)c(C)c1C
InChIInChI=1S/C10H15N/c1-7-6-11(5)10(4)9(3)8(7)2/h1-5H3
InChIKeyNPMKDQGXGGZMMD-UHFFFAOYSA-N
XLogP1.54
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
3,4,5,6-tetramethyl-2H-pyridin-2-ide
CID 57713242
lithium 3,4,5,6-tetramethyl-2H-pyridin-2-ide
CID 57798237
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
carbanide;2,3,5,6-tetramethyl-4H-pyridin-4-ide;yttrium
CID 58651170
carbanide;2,4,5,6-tetramethyl-3H-pyridin-3-ide;yttrium
CID 58651183
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
rubidium(1+);4,5,6-trimethyl-3H-pyridin-3-ide
CID 59014573
3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium
CID 59117714
N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine
CID 59366452

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide?
The IUPAC name of 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide (CID 21022302) is 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide.
What is the SMILES notation for 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide?
The canonical SMILES for 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide is Cc1[c-][n+](C)c(C)c(C)c1C.
What is the InChIKey of 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide?
The InChIKey is NPMKDQGXGGZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-6-11(5)10(4)9(3)8(7)2/h1-5H3.
What are the key properties of 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide?
1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide has a molecular weight of 149.24 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-pentamethyl-2H-pyridin-1-ium-2-ide is sourced from PubChem (CID 21022302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).