1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C14H19N — CID 45094601

IUPAC1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCCC12CC(Cc3ccccc31)N(C)C2
InChIInChI=1S/C14H19N/c1-3-14-9-12(15(2)10-14)8-11-6-4-5-7-13(11)14/h4-7,12H,3,8-10H2,1-2H3
InChIKeyWNRIDCPTZHNBQH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.59
Rot. Bonds1

About 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 45094601) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID45094601
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCCC12CC(Cc3ccccc31)N(C)C2
InChIInChI=1S/C14H19N/c1-3-14-9-12(15(2)10-14)8-11-6-4-5-7-13(11)14/h4-7,12H,3,8-10H2,1-2H3
InChIKeyWNRIDCPTZHNBQH-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 45094601) is 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is CCC12CC(Cc3ccccc31)N(C)C2.
What is the InChIKey of 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is WNRIDCPTZHNBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-14-9-12(15(2)10-14)8-11-6-4-5-7-13(11)14/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 201.31 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-10-methyl-10-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 45094601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).