1-(4-methoxycyclohexyl)-3-methylazetidine

C11H21NO — CID 155331659

IUPAC1-(4-methoxycyclohexyl)-3-methylazetidine
SMILESCOC1CCC(N2CC(C)C2)CC1
InChIInChI=1S/C11H21NO/c1-9-7-12(8-9)10-3-5-11(13-2)6-4-10/h9-11H,3-8H2,1-2H3
InChIKeyBYJXASQBMVUHMC-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds2

About 1-(4-methoxycyclohexyl)-3-methylazetidine

1-(4-methoxycyclohexyl)-3-methylazetidine (PubChem CID 155331659) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-3-methylazetidine.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-3-methylazetidine
PubChem CID155331659
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(4-methoxycyclohexyl)-3-methylazetidine
SMILESCOC1CCC(N2CC(C)C2)CC1
InChIInChI=1S/C11H21NO/c1-9-7-12(8-9)10-3-5-11(13-2)6-4-10/h9-11H,3-8H2,1-2H3
InChIKeyBYJXASQBMVUHMC-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-3-methylazetidine?
The IUPAC name of 1-(4-methoxycyclohexyl)-3-methylazetidine (CID 155331659) is 1-(4-methoxycyclohexyl)-3-methylazetidine.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-3-methylazetidine?
The canonical SMILES for 1-(4-methoxycyclohexyl)-3-methylazetidine is COC1CCC(N2CC(C)C2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-3-methylazetidine?
The InChIKey is BYJXASQBMVUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-7-12(8-9)10-3-5-11(13-2)6-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(4-methoxycyclohexyl)-3-methylazetidine?
1-(4-methoxycyclohexyl)-3-methylazetidine has a molecular weight of 183.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-3-methylazetidine is sourced from PubChem (CID 155331659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).