3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C14H20N2 — CID 118055215

IUPAC3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCc1ccc2c3c1C(C)(C)CN3CCNC2
InChIInChI=1S/C14H20N2/c1-10-4-5-11-8-15-6-7-16-9-14(2,3)12(10)13(11)16/h4-5,15H,6-9H2,1-3H3
InChIKeyZQIFEXUPZUTKGL-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.20
Rot. Bonds

About 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055215) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055215
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCc1ccc2c3c1C(C)(C)CN3CCNC2
InChIInChI=1S/C14H20N2/c1-10-4-5-11-8-15-6-7-16-9-14(2,3)12(10)13(11)16/h4-5,15H,6-9H2,1-3H3
InChIKeyZQIFEXUPZUTKGL-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9aR,12aS)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine
CID 11521822
Way-163909
CID 10130594
3,5-Dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055195
(2,3,6,7,8,9-Hexahydro-1H-benzo[g]indol-8-yl)-dipropyl-amine
CID 10107314
2,3,4,5,11,11a-hexahydro-1H-(1,4)diazepino(1,7-a)indole
CID 9920585
(4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9920815
7-o-Tolyl-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720253
7-(2-Trifluoromethyl-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720609
(4R,10aS)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 44397752
3-Methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055192
3,3-Dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055199
5-(2-Methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055201

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055215) is 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is Cc1ccc2c3c1C(C)(C)CN3CCNC2.
What is the InChIKey of 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is ZQIFEXUPZUTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-4-5-11-8-15-6-7-16-9-14(2,3)12(10)13(11)16/h4-5,15H,6-9H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 216.33 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).