4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene

C13H26N2 — CID 144846797

IUPAC4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene
SMILESC=C.CC1CCC(C2CNNC2)CC1C
InChIInChI=1S/C11H22N2.C2H4/c1-8-3-4-10(5-9(8)2)11-6-12-13-7-11;1-2/h8-13H,3-7H2,1-2H3;1-2H2
InChIKeyHYRZBLIJSXHPHB-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.58
Rot. Bonds1

About 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene

4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene (PubChem CID 144846797) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene
PubChem CID144846797
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene
SMILESC=C.CC1CCC(C2CNNC2)CC1C
InChIInChI=1S/C11H22N2.C2H4/c1-8-3-4-10(5-9(8)2)11-6-12-13-7-11;1-2/h8-13H,3-7H2,1-2H3;1-2H2
InChIKeyHYRZBLIJSXHPHB-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
2-(3,4-dimethylcyclohexyl)-5-methylpiperidine
CID 106779509
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol
CID 64739881
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
4-(3,4-dimethylcyclohexyl)-1-(3-fluoro-4-methylcyclohexyl)-2-methylcyclohexane
CID 167048717
7-(3,4-dimethylcyclohexyl)-4,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 58552768
2-(3,4-dimethylcyclohexyl)-2,5-dihydro-1H-pyrrole
CID 130510766
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene (CID 144846797) is 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene is C=C.CC1CCC(C2CNNC2)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene?
The InChIKey is HYRZBLIJSXHPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H4/c1-8-3-4-10(5-9(8)2)11-6-12-13-7-11;1-2/h8-13H,3-7H2,1-2H3;1-2H2.
What are the key properties of 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene?
4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene has a molecular weight of 210.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)pyrazolidine;ethene is sourced from PubChem (CID 144846797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).