1-[1-(ethoxymethyl)cyclohexyl]azetidine

C12H23NO — CID 151253955

IUPAC1-[1-(ethoxymethyl)cyclohexyl]azetidine
SMILESCCOCC1(N2CCC2)CCCCC1
InChIInChI=1S/C12H23NO/c1-2-14-11-12(13-9-6-10-13)7-4-3-5-8-12/h2-11H2,1H3
InChIKeyNSXRYNRINVNUHJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds4

About 1-[1-(ethoxymethyl)cyclohexyl]azetidine

1-[1-(ethoxymethyl)cyclohexyl]azetidine (PubChem CID 151253955) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[1-(ethoxymethyl)cyclohexyl]azetidine.

Molecular Properties

Compound Name1-[1-(ethoxymethyl)cyclohexyl]azetidine
PubChem CID151253955
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[1-(ethoxymethyl)cyclohexyl]azetidine
SMILESCCOCC1(N2CCC2)CCCCC1
InChIInChI=1S/C12H23NO/c1-2-14-11-12(13-9-6-10-13)7-4-3-5-8-12/h2-11H2,1H3
InChIKeyNSXRYNRINVNUHJ-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethoxymethyl)cyclohexyl]azetidine?
The IUPAC name of 1-[1-(ethoxymethyl)cyclohexyl]azetidine (CID 151253955) is 1-[1-(ethoxymethyl)cyclohexyl]azetidine.
What is the SMILES notation for 1-[1-(ethoxymethyl)cyclohexyl]azetidine?
The canonical SMILES for 1-[1-(ethoxymethyl)cyclohexyl]azetidine is CCOCC1(N2CCC2)CCCCC1.
What is the InChIKey of 1-[1-(ethoxymethyl)cyclohexyl]azetidine?
The InChIKey is NSXRYNRINVNUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-14-11-12(13-9-6-10-13)7-4-3-5-8-12/h2-11H2,1H3.
What are the key properties of 1-[1-(ethoxymethyl)cyclohexyl]azetidine?
1-[1-(ethoxymethyl)cyclohexyl]azetidine has a molecular weight of 197.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethoxymethyl)cyclohexyl]azetidine is sourced from PubChem (CID 151253955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).