3-Propyl-(2'-N-methyl-N-homopropargyl)pyridine - CAS 1076199-37-5
Catalog: |
BB057999 |
Product Name: |
3-Propyl-(2'-N-methyl-N-homopropargyl)pyridine |
CAS: |
1076199-37-5 |
Synonyms: |
N-3-Butynyl-N,α-dimethyl-(3-pyridinyl)ethanamine; N-3-Butyn-1-yl-N,α-dimethyl-3-pyridineethanamine |
IUPAC Name: | N-methyl-N-(1-pyridin-3-ylpropan-2-yl)but-3-yn-1-amine |
Description: | An analog of azadeprenyl (A797200). |
Molecular Weight: | 202.3 |
Molecular Formula: | C13H18N2 |
Canonical SMILES: | CC(CC1=CN=CC=C1)N(C)CCC#C |
InChI: | InChI=1S/C13H18N2/c1-4-5-9-15(3)12(2)10-13-7-6-8-14-11-13/h1,6-8,11-12H,5,9-10H2,2-3H3 |
InChI Key: | BARYOSPPJCHJAO-UHFFFAOYSA-N |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.146998583 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 16.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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