3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium

C10H16N+ — CID 123180711

IUPAC3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium
SMILESCC=C[N+]1=CC(C)CC=C1C
InChIInChI=1S/C10H16N/c1-4-7-11-8-9(2)5-6-10(11)3/h4,6-9H,5H2,1-3H3/q+1
InChIKeyKWWDRUWAONFXTI-UHFFFAOYSA-N
MW150.24 g/mol
LogP2.55
Rot. Bonds1

About 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium

3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium (PubChem CID 123180711) has the molecular formula C10H16N+ and a molecular weight of 150.24 g/mol. Its IUPAC name is 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium
PubChem CID123180711
Molecular FormulaC10H16N+
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Name3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium
SMILESCC=C[N+]1=CC(C)CC=C1C
InChIInChI=1S/C10H16N/c1-4-7-11-8-9(2)5-6-10(11)3/h4,6-9H,5H2,1-3H3/q+1
InChIKeyKWWDRUWAONFXTI-UHFFFAOYSA-N
XLogP2.55
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 52.55
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

6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
4,6-Dimethyl-3,4-dihydropyridine
CID 53738464
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
3,5-diethyl-3H-pyrrole
CID 57710494
3,4,6-Trimethyl-3,4-dihydropyridine
CID 59701053
1,6-Dimethyl-3,4-dihydropyridin-1-ium
CID 67176694
(3S)-3,4,6-trimethyl-3,4-dihydropyridine
CID 68330621
3-Ethenyl-6-ethyl-3,4-dihydropyridine
CID 68343847
(3S)-3,6-dimethyl-3,4-dihydropyridine
CID 70325789
3,6-Dimethyl-3,4-dihydropyridine
CID 77823905
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
N-[(Z)-5-methylhex-2-en-2-yl]ethanimine
CID 89193948

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium?
The IUPAC name of 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium (CID 123180711) is 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium?
The canonical SMILES for 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium is CC=C[N+]1=CC(C)CC=C1C.
What is the InChIKey of 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium?
The InChIKey is KWWDRUWAONFXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-4-7-11-8-9(2)5-6-10(11)3/h4,6-9H,5H2,1-3H3/q+1.
What are the key properties of 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium?
3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium has a molecular weight of 150.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-prop-1-enyl-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 123180711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).