1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine

C12H14N2 — CID 19919421

IUPAC1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine
SMILESNC1=CN2CC=CC3=C2C(CC=C3)C1
InChIInChI=1S/C12H14N2/c13-11-7-10-4-1-3-9-5-2-6-14(8-11)12(9)10/h1-3,5,8,10H,4,6-7,13H2
InChIKeyFTXBYXDHUXPODU-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.89
Rot. Bonds

About 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine

1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine (PubChem CID 19919421) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine
PubChem CID19919421
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine
SMILESNC1=CN2CC=CC3=C2C(CC=C3)C1
InChIInChI=1S/C12H14N2/c13-11-7-10-4-1-3-9-5-2-6-14(8-11)12(9)10/h1-3,5,8,10H,4,6-7,13H2
InChIKeyFTXBYXDHUXPODU-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11a,11b-dihydro-11H-benzo[a]quinolizine
CID 21252522
1-Methylenetetrahydroisoquinoline
CID 66925930
1-Azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraene
CID 19431233
N-ethyl-11a,11b-dihydro-11H-benzo[a]quinolizin-2-amine
CID 20439415
1-Azatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaen-6-ylmethanamine
CID 20490859
3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizin-2-ylmethanamine
CID 53685057
4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine
CID 58121814
6H-benzo[a]quinolizin-2-amine
CID 60206503
(11bS)-11a,11b-dihydro-11H-benzo[a]quinolizine
CID 68935734
2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 69349422
2,3,4,6,6a,7-hexahydro-1H-pyrazino[1,2-b]isoquinoline
CID 69381566
1,2,3,5,6,6a-Hexahydropyrrolo[2,1-a]isoquinolin-9-amine
CID 70206369

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine (CID 19919421) is 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine is NC1=CN2CC=CC3=C2C(CC=C3)C1.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine?
The InChIKey is FTXBYXDHUXPODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-11-7-10-4-1-3-9-5-2-6-14(8-11)12(9)10/h1-3,5,8,10H,4,6-7,13H2.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine?
1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine has a molecular weight of 186.26 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine is sourced from PubChem (CID 19919421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).