1,4-Diazobicylco[3.2.2]nonane

C₇H₁₄N₂CAS 283-38-5126.20 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
logP: 0.05Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

283-38-5

SMILES

C1CN2CCC1NCC2

InChIKey

XJKNACDCUAFDHD-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2/c1-4-9-5-2-7(1)8-3-6-9/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

1 names

1,4-Diazabicyclo(3.2.2)nonane

Work with 1,4-Diazobicylco[3.2.2]nonane

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

(S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine51207-66-041 % similar Quinuclidine100-76-540 % similar 3-Methyl-N,N-bis(3-methylbutyl)-1-butanamine645-41-035 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-533 % similar 2-(Cyclohexylamino)ethanol2842-38-833 % similar 3-(Cyclopropylamino)propionitrile58196-47-733 % similar 4-N-Benzyl-2-hydroxymethylpiperazine85817-34-133 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 1-Allylpiperazine13961-36-9 (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0 (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-7 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6 N,N′-Diisopropylcarbodiimide693-13-0

Elsewhere

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