CID 28528899
PubChem CID
28528899
Structure
Molecular Formula
Status
Non-live
Molecular Weight
256.45 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-cyclohexyloxypropyl-[(2R)-heptan-2-yl]azanium
InChI=1S/C16H33NO/c1-3-4-6-10-15(2)17-13-9-14-18-16-11-7-5-8-12-16/h15-17H,3-14H2,1-2H3/p+1/t15-/m1/s1
VKNFFORVVAOYFP-OAHLLOKOSA-O
CCCCC[C@@H](C)[NH2+]CCCOC1CCCCC1
C16H34NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.45 g/mol
Property Name
XLogP3-AA
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
256.264039708 g/mol
Property Name
Monoisotopic Mass
Property Value
256.264039708 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
178
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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