2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine

C16H27NO2 — CID 68902982

IUPAC2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
SMILESC=CC1(OCC)C=CC(OCCN(CC)CC)=CC1
InChIInChI=1S/C16H27NO2/c1-5-16(19-8-4)11-9-15(10-12-16)18-14-13-17(6-2)7-3/h5,9-11H,1,6-8,12-14H2,2-4H3
InChIKeyQJQFSQVQWNMDIB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.15
Rot. Bonds9

About 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine

2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine (PubChem CID 68902982) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
PubChem CID68902982
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
SMILESC=CC1(OCC)C=CC(OCCN(CC)CC)=CC1
InChIInChI=1S/C16H27NO2/c1-5-16(19-8-4)11-9-15(10-12-16)18-14-13-17(6-2)7-3/h5,9-11H,1,6-8,12-14H2,2-4H3
InChIKeyQJQFSQVQWNMDIB-UHFFFAOYSA-N
XLogP3.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-diethylethanamine
CID 57218035
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68902382
N-[(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxymethyl]-N-ethylethanamine
CID 68905940
1-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylmethanamine
CID 68905941
4-[2-(4-Iodo-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
CID 71170410
N-[2-[iodo-(2-methoxycyclohexa-1,5-dien-1-yl)methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 89688761

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine?
The IUPAC name of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine (CID 68902982) is 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine?
The canonical SMILES for 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine is C=CC1(OCC)C=CC(OCCN(CC)CC)=CC1.
What is the InChIKey of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine?
The InChIKey is QJQFSQVQWNMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(19-8-4)11-9-15(10-12-16)18-14-13-17(6-2)7-3/h5,9-11H,1,6-8,12-14H2,2-4H3.
What are the key properties of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine?
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine is sourced from PubChem (CID 68902982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).