Tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate

C₁₁H₂₂N₂O₂CAS 194032-42-3214.31 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.61Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

194032-42-3

SMILES

CC1CCN(CCN1)C(=O)OC(C)(C)C

InChIKey

SVMXIQUBNSPVCB-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2O2/c1-9-5-7-13(8-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3

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Names and synonyms

1 names

tert-Butyl 5-methyl-1,4-diazepane-1-carboxylate

Work with Tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate

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

tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-976 % similar (S)-4-N-Boc-2-methylpiperazine147081-29-676 % similar (R)-4-Boc-2-methylpiperazine163765-44-476 % similar N-Boc-piperazine57260-71-662 % similar (S)-1-N-Boc-3-isopropylpiperazine475272-54-962 % similar 1-Boc-4-methylaminopiperidine147539-41-159 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-257 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-957 % similar

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

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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