7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C29H40N2 — CID 146243252

IUPAC7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCC1=C2CCCN3CCCC(=C23)C(C)C1Cc1c(C)c2c3c(c1C)CCCN3CCC2
InChIInChI=1S/C29H40N2/c1-18-22-9-5-13-30-14-6-10-23(28(22)30)19(2)26(18)17-27-20(3)24-11-7-15-31-16-8-12-25(21(27)4)29(24)31/h18,26H,5-17H2,1-4H3
InChIKeyMJCWLJTUVOTLEB-UHFFFAOYSA-N
MW416.65 g/mol
LogP6.27
Rot. Bonds2

About 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 146243252) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID146243252
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC Name7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCC1=C2CCCN3CCCC(=C23)C(C)C1Cc1c(C)c2c3c(c1C)CCCN3CCC2
InChIInChI=1S/C29H40N2/c1-18-22-9-5-13-30-14-6-10-23(28(22)30)19(2)26(18)17-27-20(3)24-11-7-15-31-16-8-12-25(21(27)4)29(24)31/h18,26H,5-17H2,1-4H3
InChIKeyMJCWLJTUVOTLEB-UHFFFAOYSA-N
XLogP6.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 146243252) is 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is CC1=C2CCCN3CCCC(=C23)C(C)C1Cc1c(C)c2c3c(c1C)CCCN3CCC2.
What is the InChIKey of 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is MJCWLJTUVOTLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2/c1-18-22-9-5-13-30-14-6-10-23(28(22)30)19(2)26(18)17-27-20(3)24-11-7-15-31-16-8-12-25(21(27)4)29(24)31/h18,26H,5-17H2,1-4H3.
What are the key properties of 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 416.65 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 146243252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).