4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene

C16H20N2 — CID 58756295

IUPAC4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene
SMILESCC1=CC(C)(C)N=c2cc3c(cc2=N1)C(C)C3C
InChIInChI=1S/C16H20N2/c1-9-8-16(4,5)18-15-7-13-11(3)10(2)12(13)6-14(15)17-9/h6-8,10-11H,1-5H3
InChIKeyRVGOHIXKWYYQCM-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.84
Rot. Bonds

About 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene

4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene (PubChem CID 58756295) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene.

Molecular Properties

Compound Name4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene
PubChem CID58756295
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene
SMILESCC1=CC(C)(C)N=c2cc3c(cc2=N1)C(C)C3C
InChIInChI=1S/C16H20N2/c1-9-8-16(4,5)18-15-7-13-11(3)10(2)12(13)6-14(15)17-9/h6-8,10-11H,1-5H3
InChIKeyRVGOHIXKWYYQCM-UHFFFAOYSA-N
XLogP2.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
CID 90688123
(12E)-10-methyl-3,8,9,9a,10,11-hexahydrobenzo[b][1]benzazocine
CID 123154368

Frequently Asked Questions

What is the IUPAC name of 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene?
The IUPAC name of 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene (CID 58756295) is 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene.
What is the SMILES notation for 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene?
The canonical SMILES for 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene is CC1=CC(C)(C)N=c2cc3c(cc2=N1)C(C)C3C.
What is the InChIKey of 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene?
The InChIKey is RVGOHIXKWYYQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-8-16(4,5)18-15-7-13-11(3)10(2)12(13)6-14(15)17-9/h6-8,10-11H,1-5H3.
What are the key properties of 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene?
4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene has a molecular weight of 240.35 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10,12,12-pentamethyl-9,13-diazatricyclo[6.5.0.03,6]trideca-1(13),2,6,8,10-pentaene is sourced from PubChem (CID 58756295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).