1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium

C7H14N+ — CID 130217125

IUPAC1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium
SMILESC[N+]1(C)C=CCCC1
InChIInChI=1S/C7H14N/c1-8(2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3/q+1
InChIKeyHNLUUXJCCRKZIJ-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.37
Rot. Bonds

About 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium

1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium (PubChem CID 130217125) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium
PubChem CID130217125
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium
SMILESC[N+]1(C)C=CCCC1
InChIInChI=1S/C7H14N/c1-8(2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3/q+1
InChIKeyHNLUUXJCCRKZIJ-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-2,3-dihydropyrrol-1-ium
CID 15202843
N-(1-methyl-3,4-dihydro-2H-pyridin-1-ium-1-yl)ethanethioamide
CID 22139637
1,1,4-trimethyl-3,4-dihydro-2H-pyridin-1-ium
CID 123701051
1,1-dimethyl-2H-pyridin-1-ium chloride
CID 19834592
(1E,7E)-cyclododeca-1,7-diene
CID 6477773
CID 159956237
CID 159956237
azane;cyclohexene;ethanamine
CID 175469074
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
CID 158937421
5-iodo-1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium
CID 71141756
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium?
The IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium (CID 130217125) is 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium?
The canonical SMILES for 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium is C[N+]1(C)C=CCCC1.
What is the InChIKey of 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium?
The InChIKey is HNLUUXJCCRKZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-8(2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3/q+1.
What are the key properties of 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium?
1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium has a molecular weight of 112.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-dihydro-2H-pyridin-1-ium is sourced from PubChem (CID 130217125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).