6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C14H16N2 — CID 116983194

IUPAC6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESc1c(C2CNC2)cc2ccn3c2c1CCC3
InChIInChI=1S/C14H16N2/c1-2-10-6-12(13-8-15-9-13)7-11-3-5-16(4-1)14(10)11/h3,5-7,13,15H,1-2,4,8-9H2
InChIKeyXYVQCPNFPMCJMG-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.27
Rot. Bonds1

About 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 116983194) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID116983194
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESc1c(C2CNC2)cc2ccn3c2c1CCC3
InChIInChI=1S/C14H16N2/c1-2-10-6-12(13-8-15-9-13)7-11-3-5-16(4-1)14(10)11/h3,5-7,13,15H,1-2,4,8-9H2
InChIKeyXYVQCPNFPMCJMG-UHFFFAOYSA-N
XLogP2.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol
CID 116983216
4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-N-methylaniline
CID 116983208
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine
CID 116983186
7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993219
7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993221
5-chloro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 22556690
3-naphthalen-2-ylazetidine
CID 116962282
1,7-dimethyl-5-piperidin-4-ylindole
CID 84792358
1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine
CID 166534704
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 161315971
3-(3,4-dimethylphenyl)azetidine
CID 82280235

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 116983194) is 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is c1c(C2CNC2)cc2ccn3c2c1CCC3.
What is the InChIKey of 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is XYVQCPNFPMCJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-10-6-12(13-8-15-9-13)7-11-3-5-16(4-1)14(10)11/h3,5-7,13,15H,1-2,4,8-9H2.
What are the key properties of 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 212.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 116983194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).