(6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene

C13H19N — CID 130420894

IUPAC(6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene
SMILESC=C1/C=C\C=C/C=C/NCCC1CC
InChIInChI=1S/C13H19N/c1-3-13-9-11-14-10-7-5-4-6-8-12(13)2/h4-8,10,13-14H,2-3,9,11H2,1H3/b5-4-,8-6-,10-7+
InChIKeyWSZMUQCROCXGDB-QEMWWCGGSA-N
MW189.30 g/mol
LogP3.19
Rot. Bonds1

About (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene

(6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene (PubChem CID 130420894) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene.

Molecular Properties

Compound Name(6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene
PubChem CID130420894
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene
SMILESC=C1/C=C\C=C/C=C/NCCC1CC
InChIInChI=1S/C13H19N/c1-3-13-9-11-14-10-7-5-4-6-8-12(13)2/h4-8,10,13-14H,2-3,9,11H2,1H3/b5-4-,8-6-,10-7+
InChIKeyWSZMUQCROCXGDB-QEMWWCGGSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene?
The IUPAC name of (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene (CID 130420894) is (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene.
What is the SMILES notation for (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene?
The canonical SMILES for (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene is C=C1/C=C\C=C/C=C/NCCC1CC.
What is the InChIKey of (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene?
The InChIKey is WSZMUQCROCXGDB-QEMWWCGGSA-N. The full InChI is InChI=1S/C13H19N/c1-3-13-9-11-14-10-7-5-4-6-8-12(13)2/h4-8,10,13-14H,2-3,9,11H2,1H3/b5-4-,8-6-,10-7+.
What are the key properties of (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene?
(6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene has a molecular weight of 189.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,10E)-4-ethyl-5-methylidene-1-azacycloundeca-6,8,10-triene is sourced from PubChem (CID 130420894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).