(+/-)-3-Amino-homopiperidine

C₆H₁₄N₂CAS 69154-03-6114.19 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₆H₁₄N₂
Molar mass: 114.19 g/mol
Exact mass: 114.1157 Da
logP: 0.09Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69154-03-6

SMILES

C1CCNCC(C1)N

InChIKey

WJUBYASTGWKFHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2

Weigh it out

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

Names and synonyms

1 names

Azepan-3-amine

Work with (+/-)-3-Amino-homopiperidine

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

(3R)-Piperidin-3-amine127294-73-985 % similar 3-Aminopiperidine54012-73-685 % similar (S)-Piperidin-3-amine80918-66-785 % similar Piperidin-3-amine dihydrochloride138060-07-874 % similar (S)-3-Aminopiperidine dihydrochloride334618-07-474 % similar (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-474 % similar (R)-3-Aminopyrrolidine116183-82-567 % similar (-)-3-Aminopyrrolidine128345-57-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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