(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium

C15H26N+ — CID 7126531

IUPAC(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-ium
SMILESCC(=C)C[C@H]1CC=C[C@@H]([N+]1(C)C)CC(=C)C
InChIInChI=1S/C15H26N/c1-12(2)10-14-8-7-9-15(11-13(3)4)16(14,5)6/h7-8,14-15H,1,3,9-11H2,2,4-6H3/q+1/t14-,15-/m1/s1
InChIKeyHEUZJFVZDYSCHY-HUUCEWRRSA-N
MW220.37 g/mol
LogP4.50
Rot. Bonds4

About (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium

(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium (PubChem CID 7126531) has the molecular formula C15H26N+ and a molecular weight of 220.37 g/mol. Its IUPAC name is (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-ium.

Molecular Properties

Compound Name(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium
PubChem CID7126531
Molecular FormulaC15H26N+
Molecular Weight220.37 g/mol
Exact Mass220.21
IUPAC Name(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-ium
SMILESCC(=C)C[C@H]1CC=C[C@@H]([N+]1(C)C)CC(=C)C
InChIInChI=1S/C15H26N/c1-12(2)10-14-8-7-9-15(11-13(3)4)16(14,5)6/h7-8,14-15H,1,3,9-11H2,2,4-6H3/q+1/t14-,15-/m1/s1
InChIKeyHEUZJFVZDYSCHY-HUUCEWRRSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity309

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium with MolForge

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Related Compounds

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
Pyridine, 1-butyl-3,5-diethyl-1,2-dihydro-2-propyl-
CID 114238
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
CID 447259
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
n,n-Dimethylcyclohex-2-en-1-amine
CID 258772
n,n-Diethylcyclohex-2-en-1-amine
CID 258777

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium?
The IUPAC name of (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium (CID 7126531) is (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-ium.
What is the SMILES notation for (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium?
The canonical SMILES for (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium is CC(=C)C[C@H]1CC=C[C@@H]([N+]1(C)C)CC(=C)C.
What is the InChIKey of (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium?
The InChIKey is HEUZJFVZDYSCHY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H26N/c1-12(2)10-14-8-7-9-15(11-13(3)4)16(14,5)6/h7-8,14-15H,1,3,9-11H2,2,4-6H3/q+1/t14-,15-/m1/s1.
What are the key properties of (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium?
(2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium has a molecular weight of 220.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1,1-dimethyl-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridinium is sourced from PubChem (CID 7126531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).