2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene

C20H28N4 — CID 18339676

IUPAC2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
SMILESCC1c2cccc(n2)C(C)N(C)C(C)c2cccc(n2)C(C)N1C
InChIInChI=1S/C20H28N4/c1-13-17-9-7-10-19(21-17)15(3)24(6)16(4)20-12-8-11-18(22-20)14(2)23(13)5/h7-16H,1-6H3
InChIKeyZAMZOMYHGFJZST-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.30
Rot. Bonds

About 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene

2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene (PubChem CID 18339676) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene.

Molecular Properties

Compound Name2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
PubChem CID18339676
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
SMILESCC1c2cccc(n2)C(C)N(C)C(C)c2cccc(n2)C(C)N1C
InChIInChI=1S/C20H28N4/c1-13-17-9-7-10-19(21-17)15(3)24(6)16(4)20-12-8-11-18(22-20)14(2)23(13)5/h7-16H,1-6H3
InChIKeyZAMZOMYHGFJZST-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
The IUPAC name of 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene (CID 18339676) is 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene.
What is the SMILES notation for 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
The canonical SMILES for 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene is CC1c2cccc(n2)C(C)N(C)C(C)c2cccc(n2)C(C)N1C.
What is the InChIKey of 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
The InChIKey is ZAMZOMYHGFJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-13-17-9-7-10-19(21-17)15(3)24(6)16(4)20-12-8-11-18(22-20)14(2)23(13)5/h7-16H,1-6H3.
What are the key properties of 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene has a molecular weight of 324.47 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,10,11,12-hexamethyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene is sourced from PubChem (CID 18339676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).