4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine

C18H19N5O — CID 16669289

IUPAC4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCc1cc(NCc2ccco2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C18H19N5O/c1-4-13-9-15(19-10-14-6-5-7-24-14)23-18(21-13)16-11(2)8-12(3)20-17(16)22-23/h5-9,19H,4,10H2,1-3H3
InChIKeyZXRWUZRDIXOOGE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.66
Rot. Bonds4

About 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine

4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (PubChem CID 16669289) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.

Molecular Properties

Compound Name4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
PubChem CID16669289
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
SMILESCCc1cc(NCc2ccco2)n2nc3nc(C)cc(C)c3c2n1
InChIInChI=1S/C18H19N5O/c1-4-13-9-15(19-10-14-6-5-7-24-14)23-18(21-13)16-11(2)8-12(3)20-17(16)22-23/h5-9,19H,4,10H2,1-3H3
InChIKeyZXRWUZRDIXOOGE-UHFFFAOYSA-N
XLogP3.66
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine 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 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The IUPAC name of 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine (CID 16669289) is 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.
What is the SMILES notation for 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The canonical SMILES for 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is CCc1cc(NCc2ccco2)n2nc3nc(C)cc(C)c3c2n1.
What is the InChIKey of 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
The InChIKey is ZXRWUZRDIXOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-13-9-15(19-10-14-6-5-7-24-14)23-18(21-13)16-11(2)8-12(3)20-17(16)22-23/h5-9,19H,4,10H2,1-3H3.
What are the key properties of 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine?
4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine has a molecular weight of 321.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(furan-2-ylmethyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine is sourced from PubChem (CID 16669289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).