5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol

C18H22N2O — CID 11558247

IUPAC5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol
SMILESCN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1
InChIInChI=1S/C18H22N2O/c1-20-8-6-13-4-2-3-5-14(13)10-16-11-17(19)18(21)12-15(16)7-9-20/h2-5,11-12,21H,6-10,19H2,1H3
InChIKeyMUNUWDYLOYQPCC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.60
Rot. Bonds

About 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol

5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol (PubChem CID 11558247) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol.

Molecular Properties

Compound Name5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol
PubChem CID11558247
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol
SMILESCN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1
InChIInChI=1S/C18H22N2O/c1-20-8-6-13-4-2-3-5-14(13)10-16-11-17(19)18(21)12-15(16)7-9-20/h2-5,11-12,21H,6-10,19H2,1H3
InChIKeyMUNUWDYLOYQPCC-UHFFFAOYSA-N
XLogP2.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol?
The IUPAC name of 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol (CID 11558247) is 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol.
What is the SMILES notation for 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol?
The canonical SMILES for 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol is CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1.
What is the InChIKey of 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol?
The InChIKey is MUNUWDYLOYQPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-8-6-13-4-2-3-5-14(13)10-16-11-17(19)18(21)12-15(16)7-9-20/h2-5,11-12,21H,6-10,19H2,1H3.
What are the key properties of 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol?
5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol has a molecular weight of 282.39 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol is sourced from PubChem (CID 11558247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).