3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine

C14H23NO — CID 143762718

IUPAC3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine
SMILESC=C/C=C(\C=C)C(C)OC(=C)C(C)(C)NC
InChIInChI=1S/C14H23NO/c1-8-10-13(9-2)11(3)16-12(4)14(5,6)15-7/h8-11,15H,1-2,4H2,3,5-7H3/b13-10+
InChIKeyOOHKQTWDGKZLKD-JLHYYAGUSA-N
MW221.34 g/mol
LogP3.20
Rot. Bonds7

About 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine

3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine (PubChem CID 143762718) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine
PubChem CID143762718
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine
SMILESC=C/C=C(\C=C)C(C)OC(=C)C(C)(C)NC
InChIInChI=1S/C14H23NO/c1-8-10-13(9-2)11(3)16-12(4)14(5,6)15-7/h8-11,15H,1-2,4H2,3,5-7H3/b13-10+
InChIKeyOOHKQTWDGKZLKD-JLHYYAGUSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine?
The IUPAC name of 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine (CID 143762718) is 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine.
What is the SMILES notation for 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine?
The canonical SMILES for 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine is C=C/C=C(\C=C)C(C)OC(=C)C(C)(C)NC.
What is the InChIKey of 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine?
The InChIKey is OOHKQTWDGKZLKD-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H23NO/c1-8-10-13(9-2)11(3)16-12(4)14(5,6)15-7/h8-11,15H,1-2,4H2,3,5-7H3/b13-10+.
What are the key properties of 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine?
3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine is sourced from PubChem (CID 143762718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).