6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

C16H17NO — CID 101188166

IUPAC6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESNc1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C16H17NO/c17-15-13-7-5-11-1-3-12(4-2-11)6-8-14(10-9-13)16(15)18/h1-4,9-10,18H,5-8,17H2
InChIKeyVLYORPNAKUHPPT-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.86
Rot. Bonds

About 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (PubChem CID 101188166) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.

Molecular Properties

Compound Name6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
PubChem CID101188166
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESNc1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C16H17NO/c17-15-13-7-5-11-1-3-12(4-2-11)6-8-14(10-9-13)16(15)18/h1-4,9-10,18H,5-8,17H2
InChIKeyVLYORPNAKUHPPT-UHFFFAOYSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The IUPAC name of 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (CID 101188166) is 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.
What is the SMILES notation for 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The canonical SMILES for 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is Nc1c2ccc(c1O)CCc1ccc(cc1)CC2.
What is the InChIKey of 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The InChIKey is VLYORPNAKUHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-15-13-7-5-11-1-3-12(4-2-11)6-8-14(10-9-13)16(15)18/h1-4,9-10,18H,5-8,17H2.
What are the key properties of 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol has a molecular weight of 239.32 g/mol, XLogP of 2.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is sourced from PubChem (CID 101188166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).