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

C12H20N2 — CID 3757067

IUPAC5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N2CCCC2)CC(C)(C)C1
InChIInChI=1S/C12H20N2/c1-12(2)8-10(13)7-11(9-12)14-5-3-4-6-14/h7,13H,3-6,8-9H2,1-2H3/b13-10-
InChIKeyWPDZEDPWVIYOFR-RAXLEYEMSA-N
MW192.31 g/mol
LogP2.81
Rot. Bonds1

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

5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine (PubChem CID 3757067) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine
PubChem CID3757067
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N2CCCC2)CC(C)(C)C1
InChIInChI=1S/C12H20N2/c1-12(2)8-10(13)7-11(9-12)14-5-3-4-6-14/h7,13H,3-6,8-9H2,1-2H3/b13-10-
InChIKeyWPDZEDPWVIYOFR-RAXLEYEMSA-N
XLogP2.81
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.81
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-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium iodide
CID 15055242
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine iodide
CID 15945020
5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 15945262
N,N-diethyl-5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 15945344
1-(5,5-Dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)-3,5-dimethylpiperidin-1-ium iodide
CID 16196162
1-(5,5-Dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)azepan-1-ium iodide
CID 16196225
2-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine iodide
CID 16195958
Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
1-(5,5-Dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)piperidin-1-ium
CID 2307153
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine;iodide
CID 2308084

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine?
The IUPAC name of 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine (CID 3757067) is 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine.
What is the SMILES notation for 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine?
The canonical SMILES for 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine is [H]/N=C1/C=C(N2CCCC2)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine?
The InChIKey is WPDZEDPWVIYOFR-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2)8-10(13)7-11(9-12)14-5-3-4-6-14/h7,13H,3-6,8-9H2,1-2H3/b13-10-.
What are the key properties of 5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine?
5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.81, 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-pyrrolidin-1-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 3757067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).