1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine

C12H19NO — CID 173070889

IUPAC1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine
SMILESCCN1CC(OC2=CCCC=C2C)C1
InChIInChI=1S/C12H19NO/c1-3-13-8-11(9-13)14-12-7-5-4-6-10(12)2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyFQGUUUFYGZXABG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds3

About 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine

1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine (PubChem CID 173070889) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine.

Molecular Properties

Compound Name1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine
PubChem CID173070889
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine
SMILESCCN1CC(OC2=CCCC=C2C)C1
InChIInChI=1S/C12H19NO/c1-3-13-8-11(9-13)14-12-7-5-4-6-10(12)2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyFQGUUUFYGZXABG-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2Z,4Z)-5-fluoro-6-methylhepta-2,4-dien-4-yl]oxy-1-methylazetidine
CID 134530858
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N,N-dimethylethanamine
CID 89688794
(3S)-3-(6-ethylcyclohexa-1,5-dien-1-yl)oxy-1-methylpyrrolidine
CID 129059964
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-2-[(1Z)-penta-1,4-dienoxy]ethanamine
CID 138518898
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 142036077
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
N,N-diethyl-2-(4-methoxycyclohexa-1,5-dien-1-yl)oxyethanamine
CID 143792123
N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane
CID 143935676
N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 143935689
ethane;1-methyl-3-[(3Z)-2-methylidenehexa-3,5-dienoxy]azetidine
CID 144279175

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine?
The IUPAC name of 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine (CID 173070889) is 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine.
What is the SMILES notation for 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine?
The canonical SMILES for 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine is CCN1CC(OC2=CCCC=C2C)C1.
What is the InChIKey of 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine?
The InChIKey is FQGUUUFYGZXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13-8-11(9-13)14-12-7-5-4-6-10(12)2/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine?
1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine has a molecular weight of 193.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-methylcyclohexa-1,5-dien-1-yl)oxyazetidine is sourced from PubChem (CID 173070889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).