CID 29042250
PubChem CID
29042250
Structure
Molecular Formula
Status
Non-live
Molecular Weight
260.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-(2-phenylethyl)azanium
InChI=1S/C18H29N/c1-14(2)17-10-9-15(3)13-18(17)19-12-11-16-7-5-4-6-8-16/h4-8,14-15,17-19H,9-13H2,1-3H3/p+1/t15-,17-,18+/m1/s1
BDPBHIRWAUFVTP-NXHRZFHOSA-O
C[C@@H]1CC[C@@H]([C@H](C1)[NH2+]CCC2=CC=CC=C2)C(C)C
C18H30N+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
260.4 g/mol
Property Name
XLogP3-AA
Property Value
5.2
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
260.237824961 g/mol
Property Name
Monoisotopic Mass
Property Value
260.237824961 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
242
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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