N-Amino-3-azabicyclo[3.3.0]octane

C₇H₁₄N₂CAS 54528-00-6126.20 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
logP: 0.59Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed75% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage75% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H341 Suspected of causing genetic defects75% of notifiers
H411 Toxic to aquatic life with long lasting effects75% of notifiers

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

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

54528-00-6

SMILES

NN1CC2CCCC2C1

InChIKey

FJYWNYLUZBMVKI-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2/c8-9-4-6-2-1-3-7(6)5-9/h6-7H,1-5,8H2

Weigh it out

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

Names and synonyms

6 names

Cyclopenta[c]pyrrol-2(1H)-amine, hexahydro-
Hexahydrocyclopenta[c]pyrrol-2(1H)-amine
3-Amino-3-azabicyclo[3.3.0]octane
NAZA
3,3a,4,5,6,6a-Hexahydro-1H-cyclopenta[c]pyrrol-2-amine
Hexahydrocyclopenta(c)pyrrol-2(1H)-amine

Work with N-Amino-3-azabicyclo[3.3.0]octane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2(1H)-Aminohexahydrocyclopenta[c]pyrrole hydrochloride58108-05-7Salt

Similar compounds

1-Aminopyrrolidine16596-41-135 % similar 4-Cyclopentyl-1-piperazinamine61379-64-435 % similar 1-Aminopiperidine2213-43-633 % similar cis-Decalin493-01-633 % similar trans-Decalin493-02-733 % similar 1-Aminohomopiperidine5906-35-433 % similar Decalin91-17-833 % similar Bicyclohexyl92-51-332 % 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 1,4-Diazobicylco[3.2.2]nonane283-38-5 N,N′-Diisopropylcarbodiimide693-13-0

Elsewhere

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