chempirical

1,4,8,12-Tetraazacyclopentadecane

C11H26N4CAS 15439-16-4214.36 g/mol

Open in Covalent MOL file
NHNHNHHN
Secondary amine

Properties

Molecular formula
C11H26N4
Molar mass
214.36 g/mol
Exact mass
214.2157 Da
logP
-0.47Crippen estimate
Polar surface area
48.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
15439-16-4
SMILES
C1CNCCCNCCNCCCNC1
InChIKey
KUFDRRWNPNXBRF-UHFFFAOYSA-N
InChI
InChI=1S/C11H26N4/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1/h12-15H,1-11H2

Weigh it out

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

Work with 1,4,8,12-Tetraazacyclopentadecane

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

Cyclam295-37-4100 % similar 1,4-Diazacycloheptane505-66-8100 % similar Azetidine503-29-789 % similar Pyrrolidine123-75-170 % similar Piperazine110-85-067 % similar Aziridine151-56-467 % similar Cyclen294-90-667 % similar 1,4,7-Triazacyclononane4730-54-567 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook