2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)

C₇H₁₃NCAS 125678-52-6111.19 g/mol

Open in Covalent MOL file

Alkyne Tertiary amine

Properties

Molecular formula: C₇H₁₃N
Molar mass: 111.19 g/mol
Exact mass: 111.1048 Da
logP: 0.96Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

125678-52-6

SMILES

C#CCN(CC)CC

InChIKey

JZJXKEWVUBVOEH-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3

Weigh it out

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

Work with 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)

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

N,N-Dimethylpropargylamine7223-38-345 % similar Triethylamine121-44-844 % similar N-Propargylmorpholine5799-76-844 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-640 % similar 1,4-Diethylpiperazine6483-50-740 % similar 4-Propargylthiomorpholine 1,1-dioxide10442-03-239 % similar 1-Butyne107-00-638 % similar Triethylamine monohydrochloride554-68-738 % similar

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

Same formula

Quinuclidine100-76-5 α-Cyclopropylcyclopropanemethanamine13375-29-6 Diallylmethylamine2424-01-3 Diethylpropargylamine4079-68-9 Heptanenitrile629-08-3

Elsewhere

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