4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine

C17H20N8 — CID 135082149

IUPAC4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine
SMILESCc1cc2nn3c4nc(N(C)C)nc(N(C)C)c4nnc3c2cc1C
InChIInChI=1S/C17H20N8/c1-9-7-11-12(8-10(9)2)22-25-14(11)21-20-13-15(23(3)4)18-17(24(5)6)19-16(13)25/h7-8H,1-6H3
InChIKeyRPHFEVMPXCQGOM-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.97
Rot. Bonds2

About 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine

4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine (PubChem CID 135082149) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine
PubChem CID135082149
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine
SMILESCc1cc2nn3c4nc(N(C)C)nc(N(C)C)c4nnc3c2cc1C
InChIInChI=1S/C17H20N8/c1-9-7-11-12(8-10(9)2)22-25-14(11)21-20-13-15(23(3)4)18-17(24(5)6)19-16(13)25/h7-8H,1-6H3
InChIKeyRPHFEVMPXCQGOM-UHFFFAOYSA-N
XLogP1.97
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine?
The IUPAC name of 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine (CID 135082149) is 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine.
What is the SMILES notation for 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine?
The canonical SMILES for 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine is Cc1cc2nn3c4nc(N(C)C)nc(N(C)C)c4nnc3c2cc1C.
What is the InChIKey of 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine?
The InChIKey is RPHFEVMPXCQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-9-7-11-12(8-10(9)2)22-25-14(11)21-20-13-15(23(3)4)18-17(24(5)6)19-16(13)25/h7-8H,1-6H3.
What are the key properties of 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine?
4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine has a molecular weight of 336.40 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-N,6-N,13,14-hexamethyl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaene-4,6-diamine is sourced from PubChem (CID 135082149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).