(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine

C8H15NO2 — CID 45090953

IUPAC(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine
SMILESCC(C)O[C@@H]1C=C[C@@H](N)CO1
InChIInChI=1S/C8H15NO2/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6-8H,5,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyWLIOOTZUVWTBSS-HTQZYQBOSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds2

About (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine

(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine (PubChem CID 45090953) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine
PubChem CID45090953
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine
SMILESCC(C)O[C@@H]1C=C[C@@H](N)CO1
InChIInChI=1S/C8H15NO2/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6-8H,5,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyWLIOOTZUVWTBSS-HTQZYQBOSA-N
XLogP0.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine (CID 45090953) is (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine is CC(C)O[C@@H]1C=C[C@@H](N)CO1.
What is the InChIKey of (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is WLIOOTZUVWTBSS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6-8H,5,9H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine?
(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 157.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 45090953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).