CID 39382306
PubChem CID
39382306
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(3-cyclopentyloxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
InChI=1S/C18H22N2O/c1-2-6-17(5-1)21-18-7-3-4-16(12-18)14-20-13-15-8-10-19-11-9-15/h3-4,7-12,17,20H,1-2,5-6,13-14H2/p+1
HFJCAWDWBFQRGJ-UHFFFAOYSA-O
C1CCC(C1)OC2=CC=CC(=C2)C[NH2+]CC3=CC=NC=C3
C18H23N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.4 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
283.181038361 g/mol
Property Name
Monoisotopic Mass
Property Value
283.181038361 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.7 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
285
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
CONTENTS