4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C12H15N — CID 10154254

IUPAC4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C12H15N/c1-8-2-3-11-9-5-10(7-13-6-9)12(11)4-8/h2-4,9-10,13H,5-7H2,1H3
InChIKeyLPKHNHHBGJUJHL-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds

About 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 10154254) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID10154254
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)C1CNCC2C1
InChIInChI=1S/C12H15N/c1-8-2-3-11-9-5-10(7-13-6-9)12(11)4-8/h2-4,9-10,13H,5-7H2,1H3
InChIKeyLPKHNHHBGJUJHL-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cp-601927
CID 11498153
3-(3,4-Dimethylphenyl)piperidine
CID 10103976
3-(2,3-Dimethylphenyl)piperidine
CID 10679213
7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine
CID 9881718
CID 10130346
CID 10130346
2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine-7-carbonitrile
CID 10154344
4-(2,3-Dimethylphenyl)piperidine hydrochloride
CID 70683125
7-fluoro-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine
CID 9794019
3-Phenyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 9813435
3-Fluoro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 9837259
3-(Trifluoromethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 9838143
1-Methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10105208

Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 10154254) is 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is Cc1ccc2c(c1)C1CNCC2C1.
What is the InChIKey of 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is LPKHNHHBGJUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-2-3-11-9-5-10(7-13-6-9)12(11)4-8/h2-4,9-10,13H,5-7H2,1H3.
What are the key properties of 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 173.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 10154254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).