chempirical

Iminoctadine

C18H41N7CAS 13516-27-3355.58 g/mol

Open in Covalent MOL file
NHH2NNHNHNHNHNH2
GuanidineSecondary amine

Properties

Molecular formula
C18H41N7
Molar mass
355.58 g/mol
Exact mass
355.3423 Da
logP
2.22Crippen estimate
Polar surface area
135.8 Ų
H-bond donors / acceptors
7 / 3
Rotatable bonds
18

Identifiers

CAS number
13516-27-3
SMILES
N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N
InChIKey
RONFGUROBZGJKP-UHFFFAOYSA-N
InChI
InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)

Weigh it out

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

Names and synonyms

6 names
  • Guanidine, N,N′′′-(iminodi-8,1-octanediyl)bis-
  • Guanidine, 1,1′-[iminobis(octamethylene)]di-
  • N,N′′′-(Iminodi-8,1-octanediyl)bis[guanidine]
  • Bis(8-guanidinooctyl)amine
  • 1,17-Diguanidino-9-azaheptadecane
  • 1,1′-Iminobis(octamethylene)diguanidine

Work with Iminoctadine

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

Dodecylguanidine hydrochloride13590-97-162 % similar 1,4-Diguanidinobutane sulfate14923-17-257 % similar Dodine2439-10-350 % similar Agmatine sulfate2482-00-049 % similar Homoarginine156-86-546 % similar Guanidinopropionic acid353-09-345 % similar D-Arginine157-06-243 % similar (±)-Arginine7200-25-143 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook