5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol

C19H21NO — CID 19089138

IUPAC5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol
SMILESCc1cc2c(cc1O)C1c3ccccc3CC1N(C)CC2
InChIInChI=1S/C19H21NO/c1-12-9-14-7-8-20(2)17-10-13-5-3-4-6-15(13)19(17)16(14)11-18(12)21/h3-6,9,11,17,19,21H,7-8,10H2,1-2H3
InChIKeyOCRCAVKXNOGOEK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.25
Rot. Bonds

About 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol

5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol (PubChem CID 19089138) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol.

Molecular Properties

Compound Name5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol
PubChem CID19089138
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol
SMILESCc1cc2c(cc1O)C1c3ccccc3CC1N(C)CC2
InChIInChI=1S/C19H21NO/c1-12-9-14-7-8-20(2)17-10-13-5-3-4-6-15(13)19(17)16(14)11-18(12)21/h3-6,9,11,17,19,21H,7-8,10H2,1-2H3
InChIKeyOCRCAVKXNOGOEK-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol?
The IUPAC name of 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol (CID 19089138) is 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol.
What is the SMILES notation for 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol?
The canonical SMILES for 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol is Cc1cc2c(cc1O)C1c3ccccc3CC1N(C)CC2.
What is the InChIKey of 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol?
The InChIKey is OCRCAVKXNOGOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-12-9-14-7-8-20(2)17-10-13-5-3-4-6-15(13)19(17)16(14)11-18(12)21/h3-6,9,11,17,19,21H,7-8,10H2,1-2H3.
What are the key properties of 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol?
5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol has a molecular weight of 279.38 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-10-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,13,15,17-hexaen-4-ol is sourced from PubChem (CID 19089138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).