2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine

C19H20N2O — CID 22763198

IUPAC2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOC12c3ccccc3C3C(c4ccccc41)N32
InChIInChI=1S/C19H20N2O/c1-20(2)11-12-22-19-15-9-5-3-7-13(15)17-18(21(17)19)14-8-4-6-10-16(14)19/h3-10,17-18H,11-12H2,1-2H3
InChIKeyUJRUIQBOXUTEJW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds4

About 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine

2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine (PubChem CID 22763198) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine
PubChem CID22763198
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOC12c3ccccc3C3C(c4ccccc41)N32
InChIInChI=1S/C19H20N2O/c1-20(2)11-12-22-19-15-9-5-3-7-13(15)17-18(21(17)19)14-8-4-6-10-16(14)19/h3-10,17-18H,11-12H2,1-2H3
InChIKeyUJRUIQBOXUTEJW-UHFFFAOYSA-N
XLogP2.89
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine (CID 22763198) is 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine is CN(C)CCOC12c3ccccc3C3C(c4ccccc41)N32.
What is the InChIKey of 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine?
The InChIKey is UJRUIQBOXUTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20(2)11-12-22-19-15-9-5-3-7-13(15)17-18(21(17)19)14-8-4-6-10-16(14)19/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine?
2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine has a molecular weight of 292.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azapentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaen-9-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 22763198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).