(2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine

C7H13NO — CID 55283777

IUPAC(2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine
SMILESCC1=C[C@@H](N)[C@@H](C)OC1
InChIInChI=1S/C7H13NO/c1-5-3-7(8)6(2)9-4-5/h3,6-7H,4,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyUWGBTTPLWATMFA-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds

About (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine

(2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine (PubChem CID 55283777) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine
PubChem CID55283777
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine
SMILESCC1=C[C@@H](N)[C@@H](C)OC1
InChIInChI=1S/C7H13NO/c1-5-3-7(8)6(2)9-4-5/h3,6-7H,4,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyUWGBTTPLWATMFA-RNFRBKRXSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine (CID 55283777) is (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine is CC1=C[C@@H](N)[C@@H](C)OC1.
What is the InChIKey of (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is UWGBTTPLWATMFA-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(8)6(2)9-4-5/h3,6-7H,4,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine?
(2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,5-dimethyl-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 55283777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).