2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene

C17H21N3O2 — CID 122205101

IUPAC2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene
SMILESCC1(C)c2ccc(o2)/C=N\CCNCC/N=C/c2ccc1o2
InChIInChI=1S/C17H21N3O2/c1-17(2)15-5-3-13(21-15)11-19-9-7-18-8-10-20-12-14-4-6-16(17)22-14/h3-6,11-12,18H,7-10H2,1-2H3/b19-11-,20-12+
InChIKeyLFTLOFHEXHMWSP-UHWBUFEVSA-N
MW299.37 g/mol
LogP2.64
Rot. Bonds

About 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene

2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene (PubChem CID 122205101) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene.

Molecular Properties

Compound Name2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene
PubChem CID122205101
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene
SMILESCC1(C)c2ccc(o2)/C=N\CCNCC/N=C/c2ccc1o2
InChIInChI=1S/C17H21N3O2/c1-17(2)15-5-3-13(21-15)11-19-9-7-18-8-10-20-12-14-4-6-16(17)22-14/h3-6,11-12,18H,7-10H2,1-2H3/b19-11-,20-12+
InChIKeyLFTLOFHEXHMWSP-UHWBUFEVSA-N
XLogP2.64
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene?
The IUPAC name of 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene (CID 122205101) is 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene.
What is the SMILES notation for 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene?
The canonical SMILES for 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene is CC1(C)c2ccc(o2)/C=N\CCNCC/N=C/c2ccc1o2.
What is the InChIKey of 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene?
The InChIKey is LFTLOFHEXHMWSP-UHWBUFEVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2)15-5-3-13(21-15)11-19-9-7-18-8-10-20-12-14-4-6-16(17)22-14/h3-6,11-12,18H,7-10H2,1-2H3/b19-11-,20-12+.
What are the key properties of 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene?
2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene has a molecular weight of 299.37 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-19,20-dioxa-8,11,14-triazatricyclo[14.2.1.13,6]icosa-1(18),3,5,7,14,16-hexaene is sourced from PubChem (CID 122205101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).