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CID 39121318

PubChem CID
39121318
Structure
CID 39121318_small.png
Molecular Formula
Status
Non-live
Molecular Weight
303.5 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 39121318.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6-amino-2-tert-butylimidazo[1,2-a]pyridin-3-yl)methyl-tert-butyl-ethylazanium

2.1.2 InChI

InChI=1S/C18H30N4/c1-8-21(18(5,6)7)12-14-16(17(2,3)4)20-15-10-9-13(19)11-22(14)15/h9-11H,8,12,19H2,1-7H3/p+1

2.1.3 InChIKey

UTAQLUSYDLBIJD-UHFFFAOYSA-O

2.1.4 SMILES

CC[NH+](CC1=C(N=C2N1C=C(C=C2)N)C(C)(C)C)C(C)(C)C

2.2 Molecular Formula

C18H31N4+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
303.5 g/mol
Property Name
XLogP3-AA
Property Value
4
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
5
Property Name
Exact Mass
Property Value
303.25487201 g/mol
Property Name
Monoisotopic Mass
Property Value
303.25487201 g/mol
Property Name
Topological Polar Surface Area
Property Value
47.8 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
368
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

5 Information Sources

CONTENTS