2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-

C₆H₁₂ClNOCAS 168960-19-8149.62 g/mol

Open in Covalent MOL file

Alcohol Alkene Primary amine

Properties

Molecular formula: C₆H₁₂ClNO
Molar mass: 149.62 g/mol
Exact mass: 149.0607 Da
logP: 0.30Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

168960-19-8

SMILES

Cl.N[C@H]1C=C[C@@H](CO)C1

InChIKey

DFJSXBUVSKWALM-IBTYICNHSA-N

InChI

InChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1

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Names and synonyms

2 names

2-Cyclopentene-1-methanol, 4-amino-, hydrochloride, (1S-cis)-
2-Cyclopentene-1-methanol, 4-amino-, hydrochloride, (1S,4R)-

Work with 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-

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

(1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-587 % similar 2-Cyclopentene-1-methanol, 4-amino-, (1S,4R)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1) (salt)229177-52-057 % similar Bicyclo[2.2.1]hept-5-ene-2-methanol95-12-534 % similar (1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid134003-04-634 % similar L-Serinamide hydrochloride65414-74-631 % similar 3-Aminocyclobutanol hydrochloride1036260-25-930 % similar Galactosamine hydrochloride1772-03-830 % similar D-Mannosamine hydrochloride5505-63-530 % similar

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

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 Chloro-N,N-diethylacetamide2315-36-8 4-(2-Chloroethyl)morpholine3240-94-6

Elsewhere

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