CID 29266730
PubChem CID
29266730
Structure
Molecular Formula
Status
Non-live
Molecular Weight
246.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(2R,6R)-2,6-dimethylcyclohexyl]-(3-phenylpropyl)azanium
InChI=1S/C17H27N/c1-14-8-6-9-15(2)17(14)18-13-7-12-16-10-4-3-5-11-16/h3-5,10-11,14-15,17-18H,6-9,12-13H2,1-2H3/p+1/t14-,15-/m1/s1
JDELXVBZUQTRGQ-HUUCEWRRSA-O
C[C@@H]1CCC[C@H](C1[NH2+]CCCC2=CC=CC=C2)C
C17H28N+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
246.4 g/mol
Property Name
XLogP3-AA
Property Value
4.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
246.222174897 g/mol
Property Name
Monoisotopic Mass
Property Value
246.222174897 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
210
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