4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium

C10H20N+ — CID 169132162

IUPAC4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium
SMILESCCC1(CC)CC=[N+](C)CC1
InChIInChI=1S/C10H20N/c1-4-10(5-2)6-8-11(3)9-7-10/h8H,4-7,9H2,1-3H3/q+1
InChIKeyJUDPADJZUHFDJQ-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.30
Rot. Bonds2

About 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium

4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium (PubChem CID 169132162) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium
PubChem CID169132162
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium
SMILESCCC1(CC)CC=[N+](C)CC1
InChIInChI=1S/C10H20N/c1-4-10(5-2)6-8-11(3)9-7-10/h8H,4-7,9H2,1-3H3/q+1
InChIKeyJUDPADJZUHFDJQ-UHFFFAOYSA-N
XLogP2.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.30
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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium?
The IUPAC name of 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium (CID 169132162) is 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium?
The canonical SMILES for 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium is CCC1(CC)CC=[N+](C)CC1.
What is the InChIKey of 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium?
The InChIKey is JUDPADJZUHFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-4-10(5-2)6-8-11(3)9-7-10/h8H,4-7,9H2,1-3H3/q+1.
What are the key properties of 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium?
4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium has a molecular weight of 154.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium is sourced from PubChem (CID 169132162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).