(1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine

C16H20N2O — CID 11311418

IUPAC(1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine
SMILESC/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(OC)nc1C2
InChIInChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17)13-5-6-15(19-3)18-14(13)8-11/h4-7,11H,8-9,17H2,1-3H3/b12-4+/t11-,16+/m0/s1
InChIKeyZMEVAGJCSTXMEM-INGHOVOLSA-N
MW256.35 g/mol
LogP2.71
Rot. Bonds1

About (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine

(1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine (PubChem CID 11311418) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine.

Molecular Properties

Compound Name(1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine
PubChem CID11311418
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine
SMILESC/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(OC)nc1C2
InChIInChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17)13-5-6-15(19-3)18-14(13)8-11/h4-7,11H,8-9,17H2,1-3H3/b12-4+/t11-,16+/m0/s1
InChIKeyZMEVAGJCSTXMEM-INGHOVOLSA-N
XLogP2.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine?
The IUPAC name of (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine (CID 11311418) is (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine.
What is the SMILES notation for (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine?
The canonical SMILES for (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine is C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(OC)nc1C2.
What is the InChIKey of (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine?
The InChIKey is ZMEVAGJCSTXMEM-INGHOVOLSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17)13-5-6-15(19-3)18-14(13)8-11/h4-7,11H,8-9,17H2,1-3H3/b12-4+/t11-,16+/m0/s1.
What are the key properties of (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine?
(1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,13E)-13-ethylidene-5-methoxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-amine is sourced from PubChem (CID 11311418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).