5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine

C13H22N2 — CID 3416223

IUPAC5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C13H22N2/c1-13(2)9-11(14)8-12(10-13)15-6-4-3-5-7-15/h8,14H,3-7,9-10H2,1-2H3/b14-11-
InChIKeyOAQBRZYZPLCAQO-KAMYIIQDSA-N
MW206.33 g/mol
LogP3.20
Rot. Bonds1

About 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine

5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine (PubChem CID 3416223) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine
PubChem CID3416223
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C13H22N2/c1-13(2)9-11(14)8-12(10-13)15-6-4-3-5-7-15/h8,14H,3-7,9-10H2,1-2H3/b14-11-
InChIKeyOAQBRZYZPLCAQO-KAMYIIQDSA-N
XLogP3.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium
CID 2307153
4-Methyl-6-methylidene-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohex-2-en-1-imine
CID 166552486
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-4-methylpiperazine
CID 2307075
1-(5,5-Dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-4-methylpiperazine
CID 2307866

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine?
The IUPAC name of 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine (CID 3416223) is 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine.
What is the SMILES notation for 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine?
The canonical SMILES for 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine is [H]/N=C1/C=C(N2CCCCC2)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine?
The InChIKey is OAQBRZYZPLCAQO-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2)9-11(14)8-12(10-13)15-6-4-3-5-7-15/h8,14H,3-7,9-10H2,1-2H3/b14-11-.
What are the key properties of 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine?
5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine has a molecular weight of 206.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 3416223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).