Bicyclo(1.1.1)pentan-1-amine

C5H9NCAS 177287-49-983.13 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C5H9N
Molar mass
83.13 g/mol
Exact mass
83.0735 Da
logP
0.50Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
177287-49-9
SMILES
C1C2CC1(C2)N
InChIKey
UZDGSLINNQQTJM-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c6-5-1-4(2-5)3-5/h4H,1-3,6H2
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C5H10N 84.0808
[M + Na]+
[M + Na]+ Calcd for C5H9NNa 106.0627
[M − H]−
[M − H]− Calcd for C5H8N 82.0662
Elemental analysis
Anal. Calcd for C5H9N: C, 72.24; H, 10.91; N, 16.85.

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Names and synonyms

1 name
  • Bicyclo[1.1.1]pentan-1-amine

Work with Bicyclo(1.1.1)pentan-1-amine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bicyclo[1.1.1]pentan-3-amine,hydrochloride22287-35-0Salt

Similar compounds

Amantadine768-94-573 % similar Amantadine hydrochloride665-66-761 % similar Adamantane-1,3-diamine10303-95-459 % similar Memantine19982-08-250 % similar Amantadine sulfate31377-23-846 % similar Memantine hydrochloride41100-52-144 % similar 3-Amino-1-adamantanol702-82-943 % similar 1,3,5-Tribromoadamantane707-34-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentanenitrile110-59-8 Butyl isocyanide2769-64-4 1,1-Dimethylpropargylamine2978-58-7 Isovaleronitrile625-28-5 Pivalonitrile630-18-2 1,2,3,6-Tetrahydropyridine694-05-3 tert-Butyl isocyanide7188-38-7 N,N-Dimethylpropargylamine7223-38-3

Elsewhere

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