2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine

C11H19NO — CID 142036077

IUPAC2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOC1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-3-12(2)9-10-13-11-7-5-4-6-8-11/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyGSIXAKIVMRLNFL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine

2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine (PubChem CID 142036077) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
PubChem CID142036077
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOC1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-3-12(2)9-10-13-11-7-5-4-6-8-11/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyGSIXAKIVMRLNFL-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
CID 144808749
2-[(3S,4S)-2-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxy-N,N-dimethylethanamine
CID 164736921
2-(2-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 166648988
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)azepane
CID 21515351
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine (CID 142036077) is 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine is CCN(C)CCOC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine?
The InChIKey is GSIXAKIVMRLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12(2)9-10-13-11-7-5-4-6-8-11/h5,7-8H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine?
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine is sourced from PubChem (CID 142036077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).