5-Dimethylamino-2-methyl-3-pentyn-2-ol

C₈H₁₅NOCAS 25400-83-3141.21 g/mol

Open in Covalent MOL file

Alcohol Alkyne Tertiary amine

Properties

Molecular formula: C₈H₁₅NO
Molar mass: 141.21 g/mol
Exact mass: 141.1154 Da
logP: 0.32Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

25400-83-3

SMILES

CC(C)(C#CCN(C)C)O

InChIKey

VBARYRPUABJYGW-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO/c1-8(2,10)6-5-7-9(3)4/h10H,7H2,1-4H3

Weigh it out

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

Work with 5-Dimethylamino-2-methyl-3-pentyn-2-ol

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

2,5-Dimethyl-3-hexyne-2,5-diol142-30-348 % similar 2,7-Dimethylocta-3,5-diyne-2,7-diol5929-72-644 % similar 2-Methylbut-3-yn-2-ol115-19-532 % similar N,N-Dimethylpropargylamine7223-38-332 % similar Acetone cyanohydrin75-86-532 % similar Dimethylaminoacetonitrile926-64-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tropine120-29-6 Pseudotropine135-97-7 1-Propyl-4-piperidone23133-37-1 N-Butyl-2-pyrrolidone3470-98-2 N-Heptyl isocyanate4747-81-3 1-(Isopropyl)-4-piperidone5355-68-0 4-(2-Methylpropyl)pyrrolidin-2-one61312-87-6 N-(1,1-Dimethylethyl)-2-methyl-2-propenamide6554-73-0

Elsewhere

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