chempirical

1,3-Bis[3-(dimethylamino)propyl]urea

C11H26N4OCAS 52338-87-1230.36 g/mol

Open in Covalent MOL file
NNHONHN
Tertiary amine

Properties

Molecular formula
C11H26N4O
Molar mass
230.36 g/mol
Exact mass
230.2107 Da
logP
0.39Crippen estimate
Polar surface area
51.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8

Identifiers

CAS number
52338-87-1
SMILES
CN(C)CCCN=C(O)NCCCN(C)C
InChIKey
FCQPNTOQFPJCMF-UHFFFAOYSA-N
InChI
InChI=1S/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Urea, N,N′-bis[3-(dimethylamino)propyl]-
  • Urea, 1,3-bis(3-dimethylaminopropyl)-
  • N,N′-Bis[3-(dimethylamino)propyl]urea

Work with 1,3-Bis[3-(dimethylamino)propyl]urea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(2-chloroethyl) ether-1,3-bis[3-(dimethylamino)propyl]urea copolymer68555-36-273 % similar Tetrahydro-2(1H)-pyrimidinone1852-17-161 % similar Dibutylurea1792-17-255 % similar N-[3-(Dimethylamino)propyl]acrylamide3845-76-949 % similar 2-Imidazolidinone120-93-448 % similar N-[3-(Dimethylamino)propyl]methacrylamide5205-93-647 % similar N,N′-1,6-Hexanediylbis[2,2-dimethylhydrazinecarboxamide]69938-76-746 % similar Propamocarb24579-73-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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