2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine

C15H21NO — CID 143088497

IUPAC2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine
SMILESC/C=C1/CC(CCN)=CC=C/C1=C/C=C/OC
InChIInChI=1S/C15H21NO/c1-3-14-12-13(9-10-16)6-4-7-15(14)8-5-11-17-2/h3-8,11H,9-10,12,16H2,1-2H3/b11-5+,14-3-,15-8-
InChIKeyJYKBWUSNUWAPTF-UABPGHRBSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds4

About 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine

2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine (PubChem CID 143088497) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine
PubChem CID143088497
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine
SMILESC/C=C1/CC(CCN)=CC=C/C1=C/C=C/OC
InChIInChI=1S/C15H21NO/c1-3-14-12-13(9-10-16)6-4-7-15(14)8-5-11-17-2/h3-8,11H,9-10,12,16H2,1-2H3/b11-5+,14-3-,15-8-
InChIKeyJYKBWUSNUWAPTF-UABPGHRBSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z,7Z)-5-[(1E,3E)-2-tert-butyl-4-(fluoromethoxy)buta-1,3-dienyl]nona-5,7-dien-1-amine
CID 144172347
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
2-(Oxepin-4-yl)ethanamine
CID 21621507
2-(6,7-Dihydrocyclopenta[c]pyran-5-yl)ethanamine
CID 90073157
3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
CID 143088498
ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806727
(3Z,5E)-6-methoxy-3-[(E)-2-methoxyethenyl]hepta-3,5-dien-1-amine
CID 144485487
(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
CID 144586172
(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine
CID 146489352
(2E,6Z)-2-butyl-6-methoxynona-2,6,8-trien-1-amine
CID 166895226
(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 170759622
6,7-Dihydrocyclopenta[c]pyran-5-ylmethanamine
CID 71777058

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine?
The IUPAC name of 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine (CID 143088497) is 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine?
The canonical SMILES for 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine is C/C=C1/CC(CCN)=CC=C/C1=C/C=C/OC.
What is the InChIKey of 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine?
The InChIKey is JYKBWUSNUWAPTF-UABPGHRBSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-14-12-13(9-10-16)6-4-7-15(14)8-5-11-17-2/h3-8,11H,9-10,12,16H2,1-2H3/b11-5+,14-3-,15-8-.
What are the key properties of 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine?
2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 143088497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).