(S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine

C₉H₁₈N₂CAS 51207-66-0154.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₁₈N₂
Molar mass: 154.26 g/mol
Exact mass: 154.1470 Da
logP: 0.83Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

51207-66-0

SMILES

C1CCN(C1)C[C@@H]2CCCN2

InChIKey

YLBWRMSQRFEIEB-VIFPVBQESA-N

InChI

InChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2/t9-/m0/s1

Weigh it out

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

Work with (S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine

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

L-Prolinol23356-96-944 % similar Prolinol498-63-544 % similar 2-Pyrrolidinemethanamine57734-57-344 % similar Prolinol68832-13-344 % similar 1,4-Diazobicylco[3.2.2]nonane283-38-541 % similar (+)-(S)-2-(Methoxymethyl)pyrrolidine63126-47-640 % similar O-Methyl-D-prolinol84025-81-040 % similar 2-Ethylpiperidine1484-80-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Cyclopentylpiperazine21043-40-3 4-(1-Pyrrolidinyl)piperidine5004-07-9 N,N′-Methanetetraylbis[2-methyl-2-propanamine]691-24-7

Elsewhere

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