CID 39121436
PubChem CID
39121436
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
InChI=1S/C17H26N4/c1-17(2,3)16-14(12-20-9-5-4-6-10-20)21-11-13(18)7-8-15(21)19-16/h7-8,11H,4-6,9-10,12,18H2,1-3H3/p+1
VRXRVMFGGRUORO-UHFFFAOYSA-O
CC(C)(C)C1=C(N2C=C(C=CC2=N1)N)C[NH+]3CCCCC3
C17H27N4+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.4 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
287.22357188 g/mol
Property Name
Monoisotopic Mass
Property Value
287.22357188 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.8 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
345
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS