(9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine

C16H24N2O — CID 166876906

IUPAC(9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
SMILESCCOc1ccc2c(c1)N1CCCCC[C@@H](C2)[C@@H]1N
InChIInChI=1S/C16H24N2O/c1-2-19-14-8-7-12-10-13-6-4-3-5-9-18(16(13)17)15(12)11-14/h7-8,11,13,16H,2-6,9-10,17H2,1H3/t13-,16+/m0/s1
InChIKeyAXFGFZHYAZGEAR-XJKSGUPXSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds2

About (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine

(9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine (PubChem CID 166876906) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine.

Molecular Properties

Compound Name(9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
PubChem CID166876906
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
SMILESCCOc1ccc2c(c1)N1CCCCC[C@@H](C2)[C@@H]1N
InChIInChI=1S/C16H24N2O/c1-2-19-14-8-7-12-10-13-6-4-3-5-9-18(16(13)17)15(12)11-14/h7-8,11,13,16H,2-6,9-10,17H2,1H3/t13-,16+/m0/s1
InChIKeyAXFGFZHYAZGEAR-XJKSGUPXSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The IUPAC name of (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine (CID 166876906) is (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine.
What is the SMILES notation for (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The canonical SMILES for (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine is CCOc1ccc2c(c1)N1CCCCC[C@@H](C2)[C@@H]1N.
What is the InChIKey of (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
The InChIKey is AXFGFZHYAZGEAR-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-19-14-8-7-12-10-13-6-4-3-5-9-18(16(13)17)15(12)11-14/h7-8,11,13,16H,2-6,9-10,17H2,1H3/t13-,16+/m0/s1.
What are the key properties of (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine?
(9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine has a molecular weight of 260.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,15R)-4-ethoxy-1-azatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine is sourced from PubChem (CID 166876906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).