1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium

C9H16N+ — CID 21303741

IUPAC1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium
SMILESCC1=C(C)C(C)=[N+](C)CC1
InChIInChI=1S/C9H16N/c1-7-5-6-10(4)9(3)8(7)2/h5-6H2,1-4H3/q+1
InChIKeyLUMYMOXFXZPHRQ-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.83
Rot. Bonds

About 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium

1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium (PubChem CID 21303741) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium
PubChem CID21303741
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium
SMILESCC1=C(C)C(C)=[N+](C)CC1
InChIInChI=1S/C9H16N/c1-7-5-6-10(4)9(3)8(7)2/h5-6H2,1-4H3/q+1
InChIKeyLUMYMOXFXZPHRQ-UHFFFAOYSA-N
XLogP1.83
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.83
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

1,3,4,5-tetramethyl-2H-pyrrol-1-ium
CID 21303742
3,5-Dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 58386446
N-ethyl-3,4-dimethylpent-3-en-2-imine
CID 59576226
1,2,3,4,5-pentamethyl-2H-pyrrol-1-ium
CID 59881189
(Z)-N-ethyl-3,4-dimethylhex-3-en-2-imine
CID 59921684
4,5,6-Trimethyl-2,3-dihydropyridine
CID 90739021
3,4-Dimethylpent-3-en-2-ylidene-ethyl-methylazanium
CID 123560519
3,4-dimethyl-N-propan-2-ylpent-3-en-2-imine
CID 124006658
3-Methyl-5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 131997923
4-Ethyl-5,6-dimethyl-2,3-dihydropyridine
CID 146981612
(Z)-3,4-dimethyl-N-[(2R)-2-methylbutyl]hex-3-en-2-imine
CID 155119747
N-butan-2-yl-3,4-dimethylpent-3-en-2-imine
CID 156280299

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium?
The IUPAC name of 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium (CID 21303741) is 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium?
The canonical SMILES for 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium is CC1=C(C)C(C)=[N+](C)CC1.
What is the InChIKey of 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium?
The InChIKey is LUMYMOXFXZPHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-7-5-6-10(4)9(3)8(7)2/h5-6H2,1-4H3/q+1.
What are the key properties of 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium?
1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetramethyl-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 21303741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).