CID 39236324
PubChem CID
39236324
Structure
Molecular Formula
Status
Non-live
Molecular Weight
172.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(3S)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]azanium
InChI=1S/C10H22N2/c1-9-4-3-7-12(8-9)10(2)5-6-11/h9-10H,3-8,11H2,1-2H3/p+2/t9-,10-/m0/s1
TZKXBNIAYJIQLO-UWVGGRQHSA-P
C[C@H]1CCC[NH+](C1)[C@@H](C)CC[NH3+]
C10H24N2+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
172.31 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
172.193948774 g/mol
Property Name
Monoisotopic Mass
Property Value
172.193948774 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.1 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
125
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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