2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine

C13H19NO — CID 138526704

IUPAC2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
SMILESC/C=c1/cccc(CCN)/c1=C/COC
InChIInChI=1S/C13H19NO/c1-3-11-5-4-6-12(7-9-14)13(11)8-10-15-2/h3-6,8H,7,9-10,14H2,1-2H3/b11-3-,13-8+
InChIKeySZBOKWSKZRWAJC-JKLDYHKWSA-N
MW205.30 g/mol
LogP0.42
Rot. Bonds4

About 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine

2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine (PubChem CID 138526704) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
PubChem CID138526704
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
SMILESC/C=c1/cccc(CCN)/c1=C/COC
InChIInChI=1S/C13H19NO/c1-3-11-5-4-6-12(7-9-14)13(11)8-10-15-2/h3-6,8H,7,9-10,14H2,1-2H3/b11-3-,13-8+
InChIKeySZBOKWSKZRWAJC-JKLDYHKWSA-N
XLogP0.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine?
The IUPAC name of 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine (CID 138526704) is 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine?
The canonical SMILES for 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine is C/C=c1/cccc(CCN)/c1=C/COC.
What is the InChIKey of 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine?
The InChIKey is SZBOKWSKZRWAJC-JKLDYHKWSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11-5-4-6-12(7-9-14)13(11)8-10-15-2/h3-6,8H,7,9-10,14H2,1-2H3/b11-3-,13-8+.
What are the key properties of 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine?
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 138526704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).