4-Aminomethyl-1-N-butylpiperidine

C₁₀H₂₂N₂CAS 65017-57-4170.30 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₂₂N₂
Molar mass: 170.30 g/mol
Exact mass: 170.1783 Da
logP: 1.46Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

65017-57-4

SMILES

CCCCN1CCC(CC1)CN

InChIKey

SXSSVNBOMMHRRB-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N2/c1-2-3-6-12-7-4-10(9-11)5-8-12/h10H,2-9,11H2,1H3

Weigh it out

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

Work with 4-Aminomethyl-1-N-butylpiperidine

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

2-n-Octyl-1-dodecylamine62281-06-557 % similar Tributylamine102-82-954 % similar N1,N1-Dibutyl-1,3-propanediamine102-83-054 % similar N1,N1-Dibutyl-1,2-ethanediamine3529-09-754 % similar 1-Butylpyrrolidine767-10-252 % similar 2-Ethylhexylamine104-75-650 % similar 1-Methylpiperidine-4-methylamine7149-42-048 % similar Tripentylamine621-77-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isophorone diamine2855-13-2 1-Hexylpiperazine51619-55-7 1,8-Diamino-p-menthane80-52-4

Elsewhere

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