ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium

C14H32N2+2 — CID 3048288

IUPACethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium
SMILESCC[N+](C)(C)CCC1CC[N+](C)(CC)CC1
InChIInChI=1S/C14H32N2/c1-6-15(3,4)11-8-14-9-12-16(5,7-2)13-10-14/h14H,6-13H2,1-5H3/q+2
InChIKeyHJTABKDHVUQEMR-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.35
Rot. Bonds5

About ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium

ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium (PubChem CID 3048288) has the molecular formula C14H32N2+2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium
PubChem CID3048288
Molecular FormulaC14H32N2+2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium
SMILESCC[N+](C)(C)CCC1CC[N+](C)(CC)CC1
InChIInChI=1S/C14H32N2/c1-6-15(3,4)11-8-14-9-12-16(5,7-2)13-10-14/h14H,6-13H2,1-5H3/q+2
InChIKeyHJTABKDHVUQEMR-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.35
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

4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-1,1-dimethylpiperidin-1-ium
CID 89441858
2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium
CID 177124331
1-ethyl-1-methylpyrrolidin-1-ium fluoride
CID 67241835
1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
CID 130276515
1-ethyl-1-methylpyrrolidin-1-ium-3-thiol
CID 151886530
2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium
CID 177124332
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
1,5-diethyl-1,4-dimethylazocan-1-ium
CID 123225609
1-ethyl-1-methylpyrrolidin-1-ium cyanide
CID 87321846
[4-[4-[3-[1-[5-(diethylamino)-5-methylhexyl]-1-methylpiperidin-1-ium-4-yl]propyl]-1-methylpiperidin-1-ium-1-yl]-4-methylpentyl]-triethylazanium
CID 166774710
cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
CID 154694779
ethane;propane;propylcyclopropane
CID 145406182

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium?
The IUPAC name of ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium (CID 3048288) is ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium.
What is the SMILES notation for ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium?
The canonical SMILES for ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium is CC[N+](C)(C)CCC1CC[N+](C)(CC)CC1.
What is the InChIKey of ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium?
The InChIKey is HJTABKDHVUQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-15(3,4)11-8-14-9-12-16(5,7-2)13-10-14/h14H,6-13H2,1-5H3/q+2.
What are the key properties of ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium?
ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium has a molecular weight of 228.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(1-ethyl-1-methylpiperidin-1-ium-4-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 3048288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).