chempirical

1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate

C11H24N2OCAS 71432-55-8200.33 g/mol

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NNHO

Properties

Molecular formula
C11H24N2O
Molar mass
200.33 g/mol
Exact mass
200.1889 Da
Boiling point
86 °C (at 0.24 Torr)
logP
2.56Crippen estimate
Polar surface area
33.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
71432-55-8
SMILES
CC(C)N=C(NC(C)C)OC(C)(C)C
InChIKey
FESDUDPSRMWIDL-UHFFFAOYSA-N
InChI
InChI=1S/C11H24N2O/c1-8(2)12-10(13-9(3)4)14-11(5,6)7/h8-9H,1-7H3,(H,12,13)

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Names and synonyms

6 names
  • Carbamimidic acid, N,N′-bis(1-methylethyl)-, 1,1-dimethylethyl ester
  • O-tert-Butyl-N,N′-diisopropylisourea
  • N,N′-Diisopropyl-O-tert-butylisourea
  • 2-tert-Butyl-1,3-diisopropylpseudourea
  • 2-tert-Butyl-1,3-diisopropylisourea
  • tert-Butyl N,N′-dipropan-2-ylcarbamimidate

Work with 1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate

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

N,N′-Bis(1-methylethyl)thiourea2986-17-642 % similar 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-341 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate106391-86-035 % similar 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-935 % similar (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-832 % similar Boc-L-alanine15761-38-331 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-031 % similar Boc-D-alanine7764-95-631 % similar

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

Elsewhere

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