(1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene

C15H23NO — CID 94001646

IUPAC(1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene
SMILESCCOC1=N[C@@]23CC=CC[C@]12CCCCCC3
InChIInChI=1S/C15H23NO/c1-2-17-13-14-9-5-3-4-6-11-15(14,16-13)12-8-7-10-14/h7-8H,2-6,9-12H2,1H3/t14-,15+/m1/s1
InChIKeySWTLCXVJRROOMT-CABCVRRESA-N
MW233.35 g/mol
LogP3.86
Rot. Bonds1

About (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene

(1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene (PubChem CID 94001646) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene.

Molecular Properties

Compound Name(1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene
PubChem CID94001646
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene
SMILESCCOC1=N[C@@]23CC=CC[C@]12CCCCCC3
InChIInChI=1S/C15H23NO/c1-2-17-13-14-9-5-3-4-6-11-15(14,16-13)12-8-7-10-14/h7-8H,2-6,9-12H2,1H3/t14-,15+/m1/s1
InChIKeySWTLCXVJRROOMT-CABCVRRESA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene?
The IUPAC name of (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene (CID 94001646) is (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene.
What is the SMILES notation for (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene?
The canonical SMILES for (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene is CCOC1=N[C@@]23CC=CC[C@]12CCCCCC3.
What is the InChIKey of (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene?
The InChIKey is SWTLCXVJRROOMT-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO/c1-2-17-13-14-9-5-3-4-6-11-15(14,16-13)12-8-7-10-14/h7-8H,2-6,9-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene?
(1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene has a molecular weight of 233.35 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-14-ethoxy-13-azatricyclo[6.4.2.01,8]tetradeca-10,13-diene is sourced from PubChem (CID 94001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).