2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol

C17H23NO — CID 15628817

IUPAC2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol
SMILESOCCC12NC(Cc3ccccc31)C1CCCCC12
InChIInChI=1S/C17H23NO/c19-10-9-17-14-7-3-1-5-12(14)11-16(18-17)13-6-2-4-8-15(13)17/h1,3,5,7,13,15-16,18-19H,2,4,6,8-11H2
InChIKeyNDYRQXAREGWAOX-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.60
Rot. Bonds2

About 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol

2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol (PubChem CID 15628817) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol.

Molecular Properties

Compound Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol
PubChem CID15628817
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol
SMILESOCCC12NC(Cc3ccccc31)C1CCCCC12
InChIInChI=1S/C17H23NO/c19-10-9-17-14-7-3-1-5-12(14)11-16(18-17)13-6-2-4-8-15(13)17/h1,3,5,7,13,15-16,18-19H,2,4,6,8-11H2
InChIKeyNDYRQXAREGWAOX-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.60
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-trien-1-yl)ethanol?
The IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol (CID 15628817) is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol.
What is the SMILES notation for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol?
The canonical SMILES for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-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-trien-1-yl)ethanol?
The InChIKey is NDYRQXAREGWAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-10-9-17-14-7-3-1-5-12(14)11-16(18-17)13-6-2-4-8-15(13)17/h1,3,5,7,13,15-16,18-19H,2,4,6,8-11H2.
What are the key properties of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol?
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6-trien-1-yl)ethanol has a molecular weight of 257.38 g/mol, XLogP of 2.60, 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-trien-1-yl)ethanol is sourced from PubChem (CID 15628817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).