1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine

C9H17NO2 — CID 130765028

IUPAC1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine
SMILESCCC(N)[C@@H]1CC=C[C@@H](OC)O1
InChIInChI=1S/C9H17NO2/c1-3-7(10)8-5-4-6-9(11-2)12-8/h4,6-9H,3,5,10H2,1-2H3/t7?,8-,9-/m0/s1
InChIKeyLGWAUUSMUNZOJK-NPPUSCPJSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine

1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine (PubChem CID 130765028) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine
PubChem CID130765028
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine
SMILESCCC(N)[C@@H]1CC=C[C@@H](OC)O1
InChIInChI=1S/C9H17NO2/c1-3-7(10)8-5-4-6-9(11-2)12-8/h4,6-9H,3,5,10H2,1-2H3/t7?,8-,9-/m0/s1
InChIKeyLGWAUUSMUNZOJK-NPPUSCPJSA-N
XLogP1.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
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 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine?
The IUPAC name of 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine (CID 130765028) is 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine.
What is the SMILES notation for 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine?
The canonical SMILES for 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine is CCC(N)[C@@H]1CC=C[C@@H](OC)O1.
What is the InChIKey of 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine?
The InChIKey is LGWAUUSMUNZOJK-NPPUSCPJSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-7(10)8-5-4-6-9(11-2)12-8/h4,6-9H,3,5,10H2,1-2H3/t7?,8-,9-/m0/s1.
What are the key properties of 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine?
1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propan-1-amine is sourced from PubChem (CID 130765028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).