1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium

C19H33N2+ — CID 3487983

IUPAC1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium
SMILESCC1CC(C)C[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)C1
InChIInChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
InChIKeyFQMNXKJTBBWHTO-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.92
Rot. Bonds1

About 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium

1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium (PubChem CID 3487983) has the molecular formula C19H33N2+ and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium
PubChem CID3487983
Molecular FormulaC19H33N2+
Molecular Weight289.49 g/mol
Exact Mass289.26
IUPAC Name1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium
SMILESCC1CC(C)C[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)C1
InChIInChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1
InChIKeyFQMNXKJTBBWHTO-UHFFFAOYSA-N
XLogP3.92
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium?
The IUPAC name of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium (CID 3487983) is 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium.
What is the SMILES notation for 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium?
The canonical SMILES for 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium is CC1CC(C)C[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)C1.
What is the InChIKey of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium?
The InChIKey is FQMNXKJTBBWHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N2/c1-15-9-16(2)14-21(13-15)18-10-17(11-19(3,4)12-18)20-7-5-6-8-20/h10,15-16H,5-9,11-14H2,1-4H3/q+1.
What are the key properties of 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium?
1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium has a molecular weight of 289.49 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium is sourced from PubChem (CID 3487983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).