2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

C12H15N — CID 14090452

IUPAC2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESCC1Cc2cccc3c2N1CCC3
InChIInChI=1S/C12H15N/c1-9-8-11-5-2-4-10-6-3-7-13(9)12(10)11/h2,4-5,9H,3,6-8H2,1H3
InChIKeyFTPUGMLGDALLGT-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene

2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (PubChem CID 14090452) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.

Molecular Properties

Compound Name2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
PubChem CID14090452
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
SMILESCC1Cc2cccc3c2N1CCC3
InChIInChI=1S/C12H15N/c1-9-8-11-5-2-4-10-6-3-7-13(9)12(10)11/h2,4-5,9H,3,6-8H2,1H3
InChIKeyFTPUGMLGDALLGT-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159866
7-tert-butyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 170383078
2-(2-methyl-1-propan-2-yl-2,3-dihydroindol-7-yl)propan-2-ol
CID 117203904
2-(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)propan-2-ol
CID 117203903
dimethyl 2-ethenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3-dicarboxylate
CID 164680676
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
1,8-diethyl-3,4-dihydro-2H-quinoline;methane
CID 145401425
(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 134968441
ethane;methane;8-methyl-10-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-9-one
CID 159906270
3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
CID 118423664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The IUPAC name of 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene (CID 14090452) is 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene.
What is the SMILES notation for 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The canonical SMILES for 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is CC1Cc2cccc3c2N1CCC3.
What is the InChIKey of 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
The InChIKey is FTPUGMLGDALLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-8-11-5-2-4-10-6-3-7-13(9)12(10)11/h2,4-5,9H,3,6-8H2,1H3.
What are the key properties of 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene?
2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene has a molecular weight of 173.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene is sourced from PubChem (CID 14090452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).