CID 39121269
PubChem CID
39121269
Structure
Molecular Formula
Status
Non-live
Molecular Weight
316.5 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-2-propan-2-ylimidazo[1,2-a]pyridin-6-amine
InChI=1S/C18H29N5/c1-13(2)18-16(23-11-14(19)5-6-17(23)20-18)12-22(4)15-7-9-21(3)10-8-15/h5-6,11,13,15H,7-10,12,19H2,1-4H3/p+1
UPCWNVNQULANLL-UHFFFAOYSA-O
CC(C)C1=C(N2C=C(C=CC2=N1)N)CN(C)C3CC[NH+](CC3)C
C18H30N5+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
316.5 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
316.25012098 g/mol
Property Name
Monoisotopic Mass
Property Value
316.25012098 g/mol
Property Name
Topological Polar Surface Area
Property Value
51 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
380
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