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

C13H18N2 — CID 118055297

IUPAC5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C13H18N2/c1-2-10-3-4-11-9-14-6-8-15-7-5-12(10)13(11)15/h3-4,14H,2,5-9H2,1H3
InChIKeyPMJQYEIJVQMJCD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.71
Rot. Bonds1

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

5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055297) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055297
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C13H18N2/c1-2-10-3-4-11-9-14-6-8-15-7-5-12(10)13(11)15/h3-4,14H,2,5-9H2,1H3
InChIKeyPMJQYEIJVQMJCD-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.71
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
(4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 20824945
1,11-Diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene
CID 22036724
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
(4R,10aR)-4,6-Dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 44397846

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055297) is 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CCc1ccc2c3c1CCN3CCNC2.
What is the InChIKey of 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is PMJQYEIJVQMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-10-3-4-11-9-14-6-8-15-7-5-12(10)13(11)15/h3-4,14H,2,5-9H2,1H3.
What are the key properties of 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 202.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).