CID 45366537
PubChem CID
45366537
Structure
Molecular Formula
Status
Non-live
Molecular Weight
186.29 g/mol
Dates
- Create:2010-05-14
Chemical Structure Depiction
1-butan-2-yl-3-pentylurea
InChI=1S/C10H22N2O/c1-4-6-7-8-11-10(13)12-9(3)5-2/h9H,4-8H2,1-3H3,(H2,11,12,13)
IIYYNBVXLSWUCD-UHFFFAOYSA-N
CCCCCNC(=O)NC(C)CC
C10H22N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
186.29 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
186.173213330 g/mol
Property Name
Monoisotopic Mass
Property Value
186.173213330 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.1 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
137
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
1
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
CONTENTS