N-Methyl-1,3-propanediamine
Properties
- Molecular formula
- C4H12N2
- Molar mass
- 88.15 g/mol
- Exact mass
- 88.1000 Da
- Boiling point
- 138–139 °C
- logP
- -0.45Crippen estimate
- Polar surface area
- 38.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
6291-84-5SMILES
CNCCCNInChIKey
QHJABUZHRJTCAR-UHFFFAOYSA-NInChI
InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
19 names · show all
- 1,3-Propanediamine, N1-methyl-
- 1,3-Propanediamine, N-methyl-
- N1-Methyl-1,3-propanediamine
- N-Methyl-1,3-diaminopropane
- 3-Amino-1-(methylamino)propane
- 1-Amino-3-(methylamino)propane
- 3-(Methylamino)propylamine
- N-Methylpropylenediamine
- N-Methyltrimethylenediamine
- N-Methyl-1,3-propylenediamine
- 1-(N-Methylamino)-3-aminopropane
- (3-Aminopropyl)methylamine
- Koei 3306
- Methylaminopropylamine
- 3-(Methylamino)-1-propylamine
- N1-Methylpropane-1,3-diamine
- NSC 8160
- N-(3-Aminopropyl)methylamine
- N-(3-Aminopropyl)-N-methylamine
Work with N-Methyl-1,3-propanediamine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
N-Methylethylenediamine109-81-967 % similar
N,N′-Dimethyl-1,3-propanediamine111-33-159 % similar
N1,N6-Dimethyl-1,6-hexanediamine13093-04-456 % similar
Norspermidine56-18-853 % similar
N,N′-Bis(3-aminopropyl)ethylenediamine10563-26-550 % similar
Norspermine4605-14-550 % similar
Spermine71-44-350 % similar
N-Ethyl-1,3-propanediamine10563-23-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds