3-(3,4-dimethylcyclohexyl)oxypyrrolidine

C12H23NO — CID 64744772

IUPAC3-(3,4-dimethylcyclohexyl)oxypyrrolidine
SMILESCC1CCC(OC2CCNC2)CC1C
InChIInChI=1S/C12H23NO/c1-9-3-4-11(7-10(9)2)14-12-5-6-13-8-12/h9-13H,3-8H2,1-2H3
InChIKeyMNENGHSYBFSJOM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds2

About 3-(3,4-dimethylcyclohexyl)oxypyrrolidine

3-(3,4-dimethylcyclohexyl)oxypyrrolidine (PubChem CID 64744772) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxypyrrolidine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxypyrrolidine
PubChem CID64744772
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(3,4-dimethylcyclohexyl)oxypyrrolidine
SMILESCC1CCC(OC2CCNC2)CC1C
InChIInChI=1S/C12H23NO/c1-9-3-4-11(7-10(9)2)14-12-5-6-13-8-12/h9-13H,3-8H2,1-2H3
InChIKeyMNENGHSYBFSJOM-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 115460446
3-(3,4-dimethylcyclohexyl)oxyazetidine
CID 64744582
4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
CID 64744399
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
CID 90160887
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
CID 153365262
3-(azetidin-3-yloxy)pyrrolidine;dihydrochloride
CID 155893811
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
ethene;(3S)-3-methoxypyrrolidine
CID 145336336
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
(3S)-3-ethoxypyrrolidine
CID 11116030
3-ethoxypyrrolidine
CID 21333172

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxypyrrolidine (CID 64744772) is 3-(3,4-dimethylcyclohexyl)oxypyrrolidine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxypyrrolidine is CC1CCC(OC2CCNC2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
The InChIKey is MNENGHSYBFSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-3-4-11(7-10(9)2)14-12-5-6-13-8-12/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
3-(3,4-dimethylcyclohexyl)oxypyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxypyrrolidine is sourced from PubChem (CID 64744772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).