1-(3-ethoxycyclohexyl)azetidine

C11H21NO — CID 163258789

IUPAC1-(3-ethoxycyclohexyl)azetidine
SMILESCCOC1CCCC(N2CCC2)C1
InChIInChI=1S/C11H21NO/c1-2-13-11-6-3-5-10(9-11)12-7-4-8-12/h10-11H,2-9H2,1H3
InChIKeyFTQFJEKODIWRSL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-ethoxycyclohexyl)azetidine

1-(3-ethoxycyclohexyl)azetidine (PubChem CID 163258789) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3-ethoxycyclohexyl)azetidine.

Molecular Properties

Compound Name1-(3-ethoxycyclohexyl)azetidine
PubChem CID163258789
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3-ethoxycyclohexyl)azetidine
SMILESCCOC1CCCC(N2CCC2)C1
InChIInChI=1S/C11H21NO/c1-2-13-11-6-3-5-10(9-11)12-7-4-8-12/h10-11H,2-9H2,1H3
InChIKeyFTQFJEKODIWRSL-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxycyclohexyl)-3-methoxyazetidine
CID 167008529
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
ethoxycyclooctane
CID 13427982
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
3-ethoxy-N-ethylcyclohexan-1-amine
CID 79619303
3-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 79469432
azane;ethoxycyclooctane
CID 70271275
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclohexyl)azetidine?
The IUPAC name of 1-(3-ethoxycyclohexyl)azetidine (CID 163258789) is 1-(3-ethoxycyclohexyl)azetidine.
What is the SMILES notation for 1-(3-ethoxycyclohexyl)azetidine?
The canonical SMILES for 1-(3-ethoxycyclohexyl)azetidine is CCOC1CCCC(N2CCC2)C1.
What is the InChIKey of 1-(3-ethoxycyclohexyl)azetidine?
The InChIKey is FTQFJEKODIWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-13-11-6-3-5-10(9-11)12-7-4-8-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3-ethoxycyclohexyl)azetidine?
1-(3-ethoxycyclohexyl)azetidine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclohexyl)azetidine is sourced from PubChem (CID 163258789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).