4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium

C9H18NO+ — CID 14442230

IUPAC4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
SMILESCOCC1=CC[N+](C)(C)CC1
InChIInChI=1S/C9H18NO/c1-10(2)6-4-9(5-7-10)8-11-3/h4H,5-8H2,1-3H3/q+1
InChIKeySEKLADBUYUZEJO-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.04
Rot. Bonds2

About 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium

4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium (PubChem CID 14442230) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
PubChem CID14442230
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
SMILESCOCC1=CC[N+](C)(C)CC1
InChIInChI=1S/C9H18NO/c1-10(2)6-4-9(5-7-10)8-11-3/h4H,5-8H2,1-3H3/q+1
InChIKeySEKLADBUYUZEJO-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxymethyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442212
4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442213
1-methyl-4-(propoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442218
(4-Allyl-2,5-dihydrofuran-2-yl)dibutylamine
CID 129793329
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
1-methyl-4-(prop-2-enoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442219
1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
4-(1-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442221
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium bromide
CID 14442229
5-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933885
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
1-methyl-5-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methoxymethyl]-3,6-dihydro-2H-pyridine
CID 23500777

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium?
The IUPAC name of 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium (CID 14442230) is 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium?
The canonical SMILES for 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium is COCC1=CC[N+](C)(C)CC1.
What is the InChIKey of 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium?
The InChIKey is SEKLADBUYUZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-10(2)6-4-9(5-7-10)8-11-3/h4H,5-8H2,1-3H3/q+1.
What are the key properties of 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium?
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium has a molecular weight of 156.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium is sourced from PubChem (CID 14442230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).