6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine

C15H23NO — CID 91547178

IUPAC6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine
SMILESC=CC(=CC)COC(=C)C=CC(=CC)N(C)C
InChIInChI=1S/C15H23NO/c1-7-14(8-2)12-17-13(4)10-11-15(9-3)16(5)6/h7-11H,1,4,12H2,2-3,5-6H3
InChIKeyLEZBVFPCYFQICV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.67
Rot. Bonds7

About 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine

6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine (PubChem CID 91547178) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine
PubChem CID91547178
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine
SMILESC=CC(=CC)COC(=C)C=CC(=CC)N(C)C
InChIInChI=1S/C15H23NO/c1-7-14(8-2)12-17-13(4)10-11-15(9-3)16(5)6/h7-11H,1,4,12H2,2-3,5-6H3
InChIKeyLEZBVFPCYFQICV-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-4-ethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 68903426
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
(3E)-4-ethenyl-5-propoxyhexa-1,3,5-trien-2-amine
CID 142026809
(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine
CID 145123185
ethane;(3E)-N-ethyl-N,5-dimethyl-4-propoxyhexa-1,3,5-trien-2-amine
CID 145316989
(3Z)-3-[1-[(2S)-butan-2-yl]oxyethenyl]hexa-1,3,5-trien-2-amine
CID 173792619
7-ethenyl-3-methoxy-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
CID 143185241
(3E)-N-ethyl-N,5-dimethyl-4-propoxyhexa-1,3,5-trien-2-amine
CID 145316990
(2E)-5-ethenyl-N,2-dimethyl-N-[(Z)-pent-2-en-3-yl]-1-propan-2-yloxyhepta-2,4,6-trien-3-amine
CID 172352077

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine?
The IUPAC name of 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine (CID 91547178) is 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine?
The canonical SMILES for 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine is C=CC(=CC)COC(=C)C=CC(=CC)N(C)C.
What is the InChIKey of 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine?
The InChIKey is LEZBVFPCYFQICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-7-14(8-2)12-17-13(4)10-11-15(9-3)16(5)6/h7-11H,1,4,12H2,2-3,5-6H3.
What are the key properties of 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine?
6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 91547178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).