3-(3,4-dimethylcyclohexyl)oxyazetidine

C11H21NO — CID 64744582

IUPAC3-(3,4-dimethylcyclohexyl)oxyazetidine
SMILESCC1CCC(OC2CNC2)CC1C
InChIInChI=1S/C11H21NO/c1-8-3-4-10(5-9(8)2)13-11-6-12-7-11/h8-12H,3-7H2,1-2H3
InChIKeyPNDQZMNHVBJWGT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds2

About 3-(3,4-dimethylcyclohexyl)oxyazetidine

3-(3,4-dimethylcyclohexyl)oxyazetidine (PubChem CID 64744582) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxyazetidine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxyazetidine
PubChem CID64744582
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(3,4-dimethylcyclohexyl)oxyazetidine
SMILESCC1CCC(OC2CNC2)CC1C
InChIInChI=1S/C11H21NO/c1-8-3-4-10(5-9(8)2)13-11-6-12-7-11/h8-12H,3-7H2,1-2H3
InChIKeyPNDQZMNHVBJWGT-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 115460446
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
CID 90160887
3-(3,4-dimethylcyclohexyl)oxypyrrolidine
CID 64744772
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
CID 153365262
4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
CID 64744399
N-(3,4-dimethylcyclohexyl)-N-methylazetidin-3-amine
CID 66186114
methyl 4-(3,4-dimethylcyclohexyl)oxycyclohexane-1-carboxylate
CID 114450729
4-(azetidin-3-yloxy)-1-methylpiperidine
CID 146420292
3-(azetidin-3-yloxy)pyrrolidine;dihydrochloride
CID 155893811
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166
3-(3,3,5-trimethylcyclohexyl)oxyazetidine
CID 62783894
2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
CID 64747111

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxyazetidine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxyazetidine (CID 64744582) is 3-(3,4-dimethylcyclohexyl)oxyazetidine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxyazetidine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxyazetidine is CC1CCC(OC2CNC2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxyazetidine?
The InChIKey is PNDQZMNHVBJWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-3-4-10(5-9(8)2)13-11-6-12-7-11/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxyazetidine?
3-(3,4-dimethylcyclohexyl)oxyazetidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 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)oxyazetidine is sourced from PubChem (CID 64744582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).