3-(3,3,5-trimethylcyclohexyl)oxyazetidine

C12H23NO — CID 62783894

IUPAC3-(3,3,5-trimethylcyclohexyl)oxyazetidine
SMILESCC1CC(OC2CNC2)CC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9-4-10(6-12(2,3)5-9)14-11-7-13-8-11/h9-11,13H,4-8H2,1-3H3
InChIKeyJBSSKWWDECYCCF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds2

About 3-(3,3,5-trimethylcyclohexyl)oxyazetidine

3-(3,3,5-trimethylcyclohexyl)oxyazetidine (PubChem CID 62783894) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(3,3,5-trimethylcyclohexyl)oxyazetidine.

Molecular Properties

Compound Name3-(3,3,5-trimethylcyclohexyl)oxyazetidine
PubChem CID62783894
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(3,3,5-trimethylcyclohexyl)oxyazetidine
SMILESCC1CC(OC2CNC2)CC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9-4-10(6-12(2,3)5-9)14-11-7-13-8-11/h9-11,13H,4-8H2,1-3H3
InChIKeyJBSSKWWDECYCCF-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethylcyclohexyl)oxyazetidine?
The IUPAC name of 3-(3,3,5-trimethylcyclohexyl)oxyazetidine (CID 62783894) is 3-(3,3,5-trimethylcyclohexyl)oxyazetidine.
What is the SMILES notation for 3-(3,3,5-trimethylcyclohexyl)oxyazetidine?
The canonical SMILES for 3-(3,3,5-trimethylcyclohexyl)oxyazetidine is CC1CC(OC2CNC2)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5-trimethylcyclohexyl)oxyazetidine?
The InChIKey is JBSSKWWDECYCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-4-10(6-12(2,3)5-9)14-11-7-13-8-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-(3,3,5-trimethylcyclohexyl)oxyazetidine?
3-(3,3,5-trimethylcyclohexyl)oxyazetidine 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-(3,3,5-trimethylcyclohexyl)oxyazetidine is sourced from PubChem (CID 62783894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).