1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine

C12H16N2 — CID 82372261

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
SMILESNCC1CCN2CCc3cccc1c32
InChIInChI=1S/C12H16N2/c13-8-10-5-7-14-6-4-9-2-1-3-11(10)12(9)14/h1-3,10H,4-8,13H2
InChIKeyFFWAPVKDAZQHHJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.50
Rot. Bonds1

About 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine

1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine (PubChem CID 82372261) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
PubChem CID82372261
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
SMILESNCC1CCN2CCc3cccc1c32
InChIInChI=1S/C12H16N2/c13-8-10-5-7-14-6-4-9-2-1-3-11(10)12(9)14/h1-3,10H,4-8,13H2
InChIKeyFFWAPVKDAZQHHJ-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 54763746
4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364424
8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,11(15),12-tetraene
CID 15231978
(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 105422246
19-(8-azapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,11(16),12,14,17-heptaen-19-yl)-8-azapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,11(16),12,14,17-heptaene
CID 139204585
1-cyclobutyl-2,3-dihydroindol-7-amine
CID 84732901
(4S)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364458
[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methanamine
CID 115105603
(4S)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364510
1,3,4,5-tetrahydro-2-benzoxepin-5-ylmethanamine;hydrochloride
CID 165145940

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine (CID 82372261) is 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine is NCC1CCN2CCc3cccc1c32.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine?
The InChIKey is FFWAPVKDAZQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-8-10-5-7-14-6-4-9-2-1-3-11(10)12(9)14/h1-3,10H,4-8,13H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine?
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine has a molecular weight of 188.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine is sourced from PubChem (CID 82372261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).