2-[(2,6-Dimethyl-4-pyridinyl)methyl]hexahydro-1h-azepine - CAS 881042-05-3
Catalog: |
BB055827 |
Product Name: |
2-[(2,6-Dimethyl-4-pyridinyl)methyl]hexahydro-1h-azepine |
CAS: |
881042-05-3 |
Synonyms: |
2-[(2,6-dimethylpyridin-4-yl)methyl]azepane; 2-((2,6-Dimethylpyridin-4-yl)methyl)azepane; 2-[(2,6-DIMETHYL-4-PYRIDINYL)METHYL]HEXAHYDRO-1H-AZEPINE; 2-[(2,6-dimethyl-4-pyridinyl)methyl]azepane |
IUPAC Name: | 2-[(2,6-dimethylpyridin-4-yl)methyl]azepane |
Description: | 2-[(2,6-Dimethyl-4-pyridinyl)methyl]hexahydro-1h-azepine |
Molecular Weight: | 218.34 |
Molecular Formula: | C14H22N2 |
Canonical SMILES: | CC1=CC(=CC(=N1)C)CC2CCCCCN2 |
InChI: | InChI=1S/C14H22N2/c1-11-8-13(9-12(2)16-11)10-14-6-4-3-5-7-15-14/h8-9,14-15H,3-7,10H2,1-2H3 |
InChI Key: | SPGNEZQSVLUIBF-UHFFFAOYSA-N |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.17829871 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.17829871 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 24.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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