2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol

C17H17NO — CID 13192730

IUPAC2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol
SMILESOCCC12NC(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C17H17NO/c19-10-9-17-14-7-3-1-5-12(14)11-16(18-17)13-6-2-4-8-15(13)17/h1-8,16,18-19H,9-11H2
InChIKeyRMUFJRNMXTXAFQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.51
Rot. Bonds2

About 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol

2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol (PubChem CID 13192730) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol.

Molecular Properties

Compound Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol
PubChem CID13192730
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol
SMILESOCCC12NC(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C17H17NO/c19-10-9-17-14-7-3-1-5-12(14)11-16(18-17)13-6-2-4-8-15(13)17/h1-8,16,18-19H,9-11H2
InChIKeyRMUFJRNMXTXAFQ-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol?
The IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol (CID 13192730) is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol.
What is the SMILES notation for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol?
The canonical SMILES for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol is OCCC12NC(Cc3ccccc31)c1ccccc12.
What is the InChIKey of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol?
The InChIKey is RMUFJRNMXTXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-10-9-17-14-7-3-1-5-12(14)11-16(18-17)13-6-2-4-8-15(13)17/h1-8,16,18-19H,9-11H2.
What are the key properties of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol?
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol is sourced from PubChem (CID 13192730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).