7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

C14H19N — CID 70374182

IUPAC7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESCC1CC2=C3C(=CC=NC2)CCCC3C1
InChIInChI=1S/C14H19N/c1-10-7-12-4-2-3-11-5-6-15-9-13(8-10)14(11)12/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyBUSCVOOXOXDGLV-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.52
Rot. Bonds

About 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (PubChem CID 70374182) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.

Molecular Properties

Compound Name7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
PubChem CID70374182
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESCC1CC2=C3C(=CC=NC2)CCCC3C1
InChIInChI=1S/C14H19N/c1-10-7-12-4-2-3-11-5-6-15-9-13(8-10)14(11)12/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyBUSCVOOXOXDGLV-UHFFFAOYSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The IUPAC name of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (CID 70374182) is 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.
What is the SMILES notation for 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The canonical SMILES for 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is CC1CC2=C3C(=CC=NC2)CCCC3C1.
What is the InChIKey of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The InChIKey is BUSCVOOXOXDGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-7-12-4-2-3-11-5-6-15-9-13(8-10)14(11)12/h5-6,10,12H,2-4,7-9H2,1H3.
What are the key properties of 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene has a molecular weight of 201.31 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is sourced from PubChem (CID 70374182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).