6,6-Dimethyl-3-azabicyclo[3.1.0]hexane boceprevir key intermediate

C₇H₁₃NCAS 943516-54-9111.19 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₇H₁₃N
Molar mass: 111.19 g/mol
Exact mass: 111.1048 Da
logP: 0.86Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

943516-54-9

SMILES

CC1(C2C1CNC2)C

InChIKey

BGOMFPZIMJCRDV-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

6,6-Dimethyl-3-azabicyclo(3.1.0)hexane

Work with 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane boceprevir key intermediate

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

2,6-Dimethylmorpholine141-91-336 % similar 2,6-Dimethylmorpholine, (2R,6R)-171753-74-536 % similar cis-2,6-Dimethylmorpholine6485-55-836 % similar Diisobutylamine110-96-335 % similar 2,6-Dimethylpiperazine108-49-632 % similar Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-132 % similar 3,5-Dimethylpiperidine35794-11-732 % similar 3-Carene13466-78-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Quinuclidine100-76-5 2-Propyn-1-amine, N,N-diethyl-, radical ion(1+)125678-52-6 (Dicyclopropylmethyl)amine13375-29-6 Diallylmethylamine2424-01-3 Diethylpropargylamine4079-68-9 Heptanenitrile629-08-3

Elsewhere

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