1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide

C9H18IN — CID 14008559

IUPAC1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide
SMILESCC1=[N+](C)CCCC1(C)C.[I-]
InChIInChI=1S/C9H18N.HI/c1-8-9(2,3)6-5-7-10(8)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyLVARWRMMDMJBSR-UHFFFAOYSA-M
MW267.15 g/mol
LogP-1.09
Rot. Bonds

About 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide

1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide (PubChem CID 14008559) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide.

Molecular Properties

Compound Name1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide
PubChem CID14008559
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Name1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide
SMILESCC1=[N+](C)CCCC1(C)C.[I-]
InChIInChI=1S/C9H18N.HI/c1-8-9(2,3)6-5-7-10(8)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyLVARWRMMDMJBSR-UHFFFAOYSA-M
XLogP-1.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide?
The IUPAC name of 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide (CID 14008559) is 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide.
What is the SMILES notation for 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide?
The canonical SMILES for 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide is CC1=[N+](C)CCCC1(C)C.[I-].
What is the InChIKey of 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide?
The InChIKey is LVARWRMMDMJBSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N.HI/c1-8-9(2,3)6-5-7-10(8)4;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide?
1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide has a molecular weight of 267.15 g/mol, XLogP of -1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,6-tetramethyl-3,4-dihydro-2H-pyridin-1-ium iodide is sourced from PubChem (CID 14008559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).