1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium

C9H16N+ — CID 3016840

IUPAC1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium
SMILESC=C1CC(=C)C[N+](C)(C)C1
InChIInChI=1S/C9H16N/c1-8-5-9(2)7-10(3,4)6-8/h1-2,5-7H2,3-4H3/q+1
InChIKeyJKUPGAZRVYXXPQ-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.58
Rot. Bonds

About 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium

1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium (PubChem CID 3016840) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium.

Molecular Properties

Compound Name1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium
PubChem CID3016840
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium
SMILESC=C1CC(=C)C[N+](C)(C)C1
InChIInChI=1S/C9H16N/c1-8-5-9(2)7-10(3,4)6-8/h1-2,5-7H2,3-4H3/q+1
InChIKeyJKUPGAZRVYXXPQ-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.58
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'}

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Related Compounds

Piperidine, 1-methyl,4-methylene-
CID 139537
Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
1-Methyl-1-(3-methyl-but-2-enyl)-piperidinium
CID 12005585
1-Geranylpiperidine
CID 12760939
1-Methyl-3-methylidenepiperidine
CID 15656059
1,1-Dimethyl-3,5-dimethylenepiperidinium chloride
CID 3016839
1,2-Dimethyl-4-methylidenepiperidine
CID 14947891
1,3-Dimethyl-4-methylidenepiperidine
CID 23423756
1-Methyl-3-methylidenepiperidine hydrochloride
CID 160547096
1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium
CID 6152674
1-Ethyl-3-methylidenepiperidine
CID 10701832
1-(2-Methylprop-2-enyl)piperidine
CID 11137238

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium?
The IUPAC name of 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium (CID 3016840) is 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium.
What is the SMILES notation for 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium?
The canonical SMILES for 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium is C=C1CC(=C)C[N+](C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium?
The InChIKey is JKUPGAZRVYXXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-8-5-9(2)7-10(3,4)6-8/h1-2,5-7H2,3-4H3/q+1.
What are the key properties of 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium?
1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,5-dimethylidenepiperidin-1-ium is sourced from PubChem (CID 3016840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).