3-(tert-Octylamino)propionitrile

C₁₁H₂₂N₂CAS 86375-28-2182.31 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₁₁H₂₂N₂
Molar mass: 182.31 g/mol
Exact mass: 182.1783 Da
logP: 2.70Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

86375-28-2

SMILES

CC(C)(C)CC(C)(C)NCCC#N

InChIKey

NJRROXHFUFARLU-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2/c1-10(2,3)9-11(4,5)13-8-6-7-12/h13H,6,8-9H2,1-5H3

Weigh it out

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Work with 3-(tert-Octylamino)propionitrile

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

3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-755 % similar 3-(Methylamino)propanenitrile693-05-040 % similar Idpn (chemical)111-94-439 % similar (2-Cyanoethyl)hydrazine353-07-135 % similar 3-(Butylamino)propionitrile693-51-634 % similar 3-(Cyclopropylamino)propionitrile58196-47-733 % similar 2,2-Dimethylpyrrolidine35018-15-632 % similar 4-Acetyl-4-methylheptanedinitrile1681-17-032 % similar

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

Same formula

1-Cycloheptylpiperazine21043-42-5 3-(Octylamino)propanenitrile29504-89-0 4-(3-Methyl-piperidin-1-yl)-piperidine551923-14-9 1-(Cyclohexylmethyl)piperazine57184-23-3

Elsewhere

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