CID 29784832
PubChem CID
29784832
Structure
Molecular Formula
Status
Non-live
Molecular Weight
290.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(4-tert-butylcyclohexyl)-[2-(4-methoxyphenyl)ethyl]azanium
InChI=1S/C19H31NO/c1-19(2,3)16-7-9-17(10-8-16)20-14-13-15-5-11-18(21-4)12-6-15/h5-6,11-12,16-17,20H,7-10,13-14H2,1-4H3/p+1
XIJNDFCISSXYAM-UHFFFAOYSA-O
CC(C)(C)C1CCC(CC1)[NH2+]CCC2=CC=C(C=C2)OC
C19H32NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.5 g/mol
Property Name
XLogP3-AA
Property Value
5
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
290.248389644 g/mol
Property Name
Monoisotopic Mass
Property Value
290.248389644 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
280
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
Old substance
Old substance
CONTENTS