3-(tert-Octylamino)propionitrile

C11H22N2CAS 86375-28-2182.31 g/mol

Open in Covalent MOL file
NHN
NitrileSecondary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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)propiononitrile29504-89-0 4-(3-Methyl-piperidin-1-yl)-piperidine551923-14-9 1-(Cyclohexylmethyl)piperazine57184-23-3

Elsewhere

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