Coniine

C₈H₁₇NCAS 3238-60-6127.23 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₁₇N
Molar mass: 127.23 g/mol
Exact mass: 127.1361 Da
Melting point: 98–100 °C
Boiling point: 56–60 °C (at 13 Torr)
logP: 1.93Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor97.5% of notifiers
H301 Toxic if swallowed97.5% of notifiers
H311 Toxic in contact with skin97.5% of notifiers
H331 Toxic if inhaled97.5% of notifiers
H351 Suspected of causing cancer97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3238-60-6

SMILES

CCCC1CCCCN1

InChIKey

NDNUANOUGZGEPO-UHFFFAOYSA-N

InChI

InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3

Weigh it out

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

Names and synonyms

6 names

Piperidine, 2-propyl-
Piperidine, 2-propyl-, (±)-
Coniine, DL-
2-Propylpiperidine
Dl-Coniine
(±)-Coniine

Work with Coniine

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-Ethylpiperidine1484-80-663 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-254 % similar 2-Piperidineethanol1484-84-054 % similar 2-Piperidinemethanamine22990-77-850 % similar Piperidin-2-ylmethanol3433-37-250 % similar N-Cyclohexyl-1,3-propanediamine3312-60-548 % similar (+)-(S)-2-(Methoxymethyl)pyrrolidine63126-47-646 % similar O-Methyl-D-prolinol84025-81-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-(+)-1-Cyclohexylethylamine17430-98-7 4-Propylpiperidine22398-09-0 Cyclooctylamine5452-37-9 Cyclohexylethylamine5459-93-8 (-)-1-Cyclohexylethylamine5913-13-3 1-Butylpyrrolidine767-10-2 N,N-Dimethylcyclohexylamine98-94-2

Elsewhere

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