3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol

C18H20N2O — CID 12685800

IUPAC3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol
SMILESOCCCN1Cc2cccc3c2N(CC3)c2ccccc21
InChIInChI=1S/C18H20N2O/c21-12-4-10-19-13-15-6-3-5-14-9-11-20(18(14)15)17-8-2-1-7-16(17)19/h1-3,5-8,21H,4,9-13H2
InChIKeyCTBVEEALIAWDAO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.08
Rot. Bonds3

About 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol

3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol (PubChem CID 12685800) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol
PubChem CID12685800
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol
SMILESOCCCN1Cc2cccc3c2N(CC3)c2ccccc21
InChIInChI=1S/C18H20N2O/c21-12-4-10-19-13-15-6-3-5-14-9-11-20(18(14)15)17-8-2-1-7-16(17)19/h1-3,5-8,21H,4,9-13H2
InChIKeyCTBVEEALIAWDAO-UHFFFAOYSA-N
XLogP3.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol?
The IUPAC name of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol (CID 12685800) is 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol.
What is the SMILES notation for 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol?
The canonical SMILES for 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol is OCCCN1Cc2cccc3c2N(CC3)c2ccccc21.
What is the InChIKey of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol?
The InChIKey is CTBVEEALIAWDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-12-4-10-19-13-15-6-3-5-14-9-11-20(18(14)15)17-8-2-1-7-16(17)19/h1-3,5-8,21H,4,9-13H2.
What are the key properties of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol?
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol is sourced from PubChem (CID 12685800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).