CID 29007357
PubChem CID
29007357
Structure
Molecular Formula
Status
Non-live
Molecular Weight
290.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-morpholin-4-yl-N-[(2R)-octan-2-yl]aniline
InChI=1S/C18H30N2O/c1-3-4-5-6-7-16(2)19-17-8-10-18(11-9-17)20-12-14-21-15-13-20/h8-11,16,19H,3-7,12-15H2,1-2H3/t16-/m1/s1
KKMLDFNHQXBPPK-MRXNPFEDSA-N
CCCCCC[C@@H](C)NC1=CC=C(C=C1)N2CCOCC2
C18H30N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.4 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
3
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
290.235813585 g/mol
Property Name
Monoisotopic Mass
Property Value
290.235813585 g/mol
Property Name
Topological Polar Surface Area
Property Value
24.5 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
258
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