chempirical

5-Methyl-[1,4]diazepane

C6H14N2CAS 22777-05-5114.19 g/mol

Open in Covalent MOL file
NHHN
Secondary amine

Properties

Molecular formula
C6H14N2
Molar mass
114.19 g/mol
Exact mass
114.1157 Da
logP
-0.04Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
22777-05-5
SMILES
CC1CCNCCN1
InChIKey
PCSCFJLGJHWKJL-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c1-6-2-3-7-4-5-8-6/h6-8H,2-5H2,1H3

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Names and synonyms

1 names
  • 5-Methyl-1,4-diazepane

Work with 5-Methyl-[1,4]diazepane

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-Methylpiperazine109-07-959 % similar (2R)-2-Methylpyrrolidine41720-98-355 % similar 2-Methylpyrrolidine765-38-855 % similar 2-Methylpiperidine109-05-752 % similar (S)-(+)-2-Methylpiperidine3197-42-052 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-548 % similar (S)-2-Methylpyrrolidine hydrochloride174500-74-448 % similar Diisoamylamine544-00-345 % similar

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

Same formula

2,5-Dimethylpiperazine106-55-8 1,4-Dimethylpiperazine106-58-1 2,6-Dimethylpiperazine108-49-6 trans-1,2-Diaminocyclohexane1121-22-8 1-Methyl-3-pyrrolidinemethanamine13005-11-3 (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4 (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6 2-Ethylpiperazine13961-37-0

Elsewhere

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