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

C14H23NO2 — CID 68902382

IUPAC2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
SMILESC=CC1(OCC)C=CC(OCCN(C)C)=CC1
InChIInChI=1S/C14H23NO2/c1-5-14(17-6-2)9-7-13(8-10-14)16-12-11-15(3)4/h5,7-9H,1,6,10-12H2,2-4H3
InChIKeySXMGLYWBJATTCI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds7

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

2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine (PubChem CID 68902382) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
PubChem CID68902382
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
SMILESC=CC1(OCC)C=CC(OCCN(C)C)=CC1
InChIInChI=1S/C14H23NO2/c1-5-14(17-6-2)9-7-13(8-10-14)16-12-11-15(3)4/h5,7-9H,1,6,10-12H2,2-4H3
InChIKeySXMGLYWBJATTCI-UHFFFAOYSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.37
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-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
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-dimethylethanamine
CID 54095924
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-diethylethanamine
CID 68902982
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine (CID 68902382) is 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine is C=CC1(OCC)C=CC(OCCN(C)C)=CC1.
What is the InChIKey of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
The InChIKey is SXMGLYWBJATTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(17-6-2)9-7-13(8-10-14)16-12-11-15(3)4/h5,7-9H,1,6,10-12H2,2-4H3.
What are the key properties of 2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.37, 7 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-dimethylethanamine is sourced from PubChem (CID 68902382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).