chempirical

4-Aminotetrahydropyran

C5H11NOCAS 38041-19-9101.15 g/mol

Open in Covalent MOL file
OH2N
EtherPrimary amine

Properties

Molecular formula
C5H11NO
Molar mass
101.15 g/mol
Exact mass
101.0841 Da
logP
0.12Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
38041-19-9
SMILES
C1COCCC1N
InChIKey
AHVQYHFYQWKUKB-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Aminotetrahydropyran

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.

Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-1Salt

Similar compounds

(S)-3-Aminotetrahydrofuran104530-79-267 % similar (R)-3-Aminotetrahydrofuran111769-26-767 % similar (R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-157 % similar (S)-Tetrahydrofuran-3-ylamine hydrochloride204512-95-857 % similar trans-1,4-Diaminocyclohexane2615-25-053 % similar 1,4-Diaminocyclohexane3114-70-353 % similar Cyclopropylamine765-30-053 % similar Cyclopentylamine1003-03-847 % similar

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

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 (3R)-Tetrahydro-3-furanmethanamine1048962-82-8 (3S)-Tetrahydro-3-furanmethanamine1048962-84-0 N-Methylmorpholine109-02-4 D-Beta-Prolinol110013-18-8 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook