CID 29780174
PubChem CID
29780174
Structure
Molecular Formula
Status
Non-live
Molecular Weight
260.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(cyclohexen-1-yl)ethyl-[(1R)-1-(2-methoxyphenyl)ethyl]azanium
InChI=1S/C17H25NO/c1-14(16-10-6-7-11-17(16)19-2)18-13-12-15-8-4-3-5-9-15/h6-8,10-11,14,18H,3-5,9,12-13H2,1-2H3/p+1/t14-/m1/s1
XILZSNGYHPCSJS-CQSZACIVSA-O
C[C@H](C1=CC=CC=C1OC)[NH2+]CCC2=CCCCC2
C17H26NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
260.4 g/mol
Property Name
XLogP3-AA
Property Value
3.7
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
6
Property Name
Exact Mass
Property Value
260.201439453 g/mol
Property Name
Monoisotopic Mass
Property Value
260.201439453 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
287
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