(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium

C19H36N2+2 — CID 2307863

IUPAC(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium
SMILESCCC[NH+](CCC)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C19H35N2/c1-5-10-20(11-6-2)17-14-18(16-19(3,4)15-17)21-12-8-7-9-13-21/h14H,5-13,15-16H2,1-4H3/q+1/p+1
InChIKeyPOGUETQKMGLOPZ-UHFFFAOYSA-O
MW292.51 g/mol
LogP3.03
Rot. Bonds5

About (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium

(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium (PubChem CID 2307863) has the molecular formula C19H36N2+2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium.

Molecular Properties

Compound Name(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium
PubChem CID2307863
Molecular FormulaC19H36N2+2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium
SMILESCCC[NH+](CCC)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C19H35N2/c1-5-10-20(11-6-2)17-14-18(16-19(3,4)15-17)21-12-8-7-9-13-21/h14H,5-13,15-16H2,1-4H3/q+1/p+1
InChIKeyPOGUETQKMGLOPZ-UHFFFAOYSA-O
XLogP3.03
TPSA7.45 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-Dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)-3,5-dimethyl-piperidin-1-ium;iodide
CID 3487983
1-(5,5-Dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)piperidine iodide
CID 15055241
1-(5,5-Dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium iodide
CID 15055242
1-(5,5-Dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium iodide
CID 16196162
5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N-(3-piperidin-1-ylpropyl)cyclohexen-1-amine
CID 2323280
2-(5,5-Dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
CID 4113719
Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
1-(5,5-Dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)piperidine;iodide
CID 417935
1-(5,5-Dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)piperidin-1-ium;iodide
CID 2307153
1-(5,5-Dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-4-methylpiperazine
CID 2307866
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-4-ethylpiperazine
CID 2320498
5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine
CID 4104336

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium?
The IUPAC name of (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium (CID 2307863) is (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium.
What is the SMILES notation for (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium?
The canonical SMILES for (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium is CCC[NH+](CCC)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1.
What is the InChIKey of (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium?
The InChIKey is POGUETQKMGLOPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H35N2/c1-5-10-20(11-6-2)17-14-18(16-19(3,4)15-17)21-12-8-7-9-13-21/h14H,5-13,15-16H2,1-4H3/q+1/p+1.
What are the key properties of (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium?
(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium has a molecular weight of 292.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium is sourced from PubChem (CID 2307863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).