1-(3-ethoxycyclohexyl)-3-methoxyazetidine

C12H23NO2 — CID 167008529

IUPAC1-(3-ethoxycyclohexyl)-3-methoxyazetidine
SMILESCCOC1CCCC(N2CC(OC)C2)C1
InChIInChI=1S/C12H23NO2/c1-3-15-11-6-4-5-10(7-11)13-8-12(9-13)14-2/h10-12H,3-9H2,1-2H3
InChIKeyMISRKMZCJILSHB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.66
Rot. Bonds4

About 1-(3-ethoxycyclohexyl)-3-methoxyazetidine

1-(3-ethoxycyclohexyl)-3-methoxyazetidine (PubChem CID 167008529) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-ethoxycyclohexyl)-3-methoxyazetidine.

Molecular Properties

Compound Name1-(3-ethoxycyclohexyl)-3-methoxyazetidine
PubChem CID167008529
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3-ethoxycyclohexyl)-3-methoxyazetidine
SMILESCCOC1CCCC(N2CC(OC)C2)C1
InChIInChI=1S/C12H23NO2/c1-3-15-11-6-4-5-10(7-11)13-8-12(9-13)14-2/h10-12H,3-9H2,1-2H3
InChIKeyMISRKMZCJILSHB-UHFFFAOYSA-N
XLogP1.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxycyclohexyl)azetidine
CID 163258789
3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
CID 130531234
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
2-(chloromethyl)-4-(3-methoxycyclohexyl)-6-methylmorpholine
CID 102936632
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine
CID 163258466
3-ethyl-1-(3-methoxycyclobutyl)azetidine
CID 164846581
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532352
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
3-butan-2-yl-1-(3-methoxycyclohexyl)-1,4-diazepane
CID 64858248

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclohexyl)-3-methoxyazetidine?
The IUPAC name of 1-(3-ethoxycyclohexyl)-3-methoxyazetidine (CID 167008529) is 1-(3-ethoxycyclohexyl)-3-methoxyazetidine.
What is the SMILES notation for 1-(3-ethoxycyclohexyl)-3-methoxyazetidine?
The canonical SMILES for 1-(3-ethoxycyclohexyl)-3-methoxyazetidine is CCOC1CCCC(N2CC(OC)C2)C1.
What is the InChIKey of 1-(3-ethoxycyclohexyl)-3-methoxyazetidine?
The InChIKey is MISRKMZCJILSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-11-6-4-5-10(7-11)13-8-12(9-13)14-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclohexyl)-3-methoxyazetidine?
1-(3-ethoxycyclohexyl)-3-methoxyazetidine has a molecular weight of 213.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclohexyl)-3-methoxyazetidine is sourced from PubChem (CID 167008529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).