13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine

C20H19N5 — CID 10449260

IUPAC13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
SMILESCc1nn(-c2ccccc2)c2nc3nc4c(c(N)c3cc12)CCCC4
InChIInChI=1S/C20H19N5/c1-12-15-11-16-18(21)14-9-5-6-10-17(14)22-19(16)23-20(15)25(24-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,21,22,23)
InChIKeyQIHOMOXYGPCBDW-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.74
Rot. Bonds1

About 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine

13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine (PubChem CID 10449260) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine.

Molecular Properties

Compound Name13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
PubChem CID10449260
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
SMILESCc1nn(-c2ccccc2)c2nc3nc4c(c(N)c3cc12)CCCC4
InChIInChI=1S/C20H19N5/c1-12-15-11-16-18(21)14-9-5-6-10-17(14)22-19(16)23-20(15)25(24-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,21,22,23)
InChIKeyQIHOMOXYGPCBDW-UHFFFAOYSA-N
XLogP3.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
The IUPAC name of 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine (CID 10449260) is 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine.
What is the SMILES notation for 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
The canonical SMILES for 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine is Cc1nn(-c2ccccc2)c2nc3nc4c(c(N)c3cc12)CCCC4.
What is the InChIKey of 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
The InChIKey is QIHOMOXYGPCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-12-15-11-16-18(21)14-9-5-6-10-17(14)22-19(16)23-20(15)25(24-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,21,22,23).
What are the key properties of 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine?
13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine has a molecular weight of 329.41 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine is sourced from PubChem (CID 10449260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).