10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol

C18H21NO — CID 46227325

IUPAC10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol
SMILESCN1CCCc2cc(O)ccc2Cc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-19-10-4-7-15-12-18(20)9-8-16(15)11-14-5-2-3-6-17(14)13-19/h2-3,5-6,8-9,12,20H,4,7,10-11,13H2,1H3
InChIKeyCYPJQZCDRFFIJS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.36
Rot. Bonds

About 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol

10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol (PubChem CID 46227325) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol.

Molecular Properties

Compound Name10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol
PubChem CID46227325
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol
SMILESCN1CCCc2cc(O)ccc2Cc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-19-10-4-7-15-12-18(20)9-8-16(15)11-14-5-2-3-6-17(14)13-19/h2-3,5-6,8-9,12,20H,4,7,10-11,13H2,1H3
InChIKeyCYPJQZCDRFFIJS-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol?
The IUPAC name of 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol (CID 46227325) is 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol.
What is the SMILES notation for 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol?
The canonical SMILES for 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol is CN1CCCc2cc(O)ccc2Cc2ccccc2C1.
What is the InChIKey of 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol?
The InChIKey is CYPJQZCDRFFIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-10-4-7-15-12-18(20)9-8-16(15)11-14-5-2-3-6-17(14)13-19/h2-3,5-6,8-9,12,20H,4,7,10-11,13H2,1H3.
What are the key properties of 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol?
10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol has a molecular weight of 267.37 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10-azatricyclo[12.4.0.03,8]octadeca-1(14),3,5,7,15,17-hexaen-16-ol is sourced from PubChem (CID 46227325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).