(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine

C7H14N2O — CID 90448010

IUPAC(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine
SMILESC[C@@H](N)C1=CC[C@@H](N)CO1
InChIInChI=1S/C7H14N2O/c1-5(8)7-3-2-6(9)4-10-7/h3,5-6H,2,4,8-9H2,1H3/t5-,6-/m1/s1
InChIKeyVYJODKFPMASDBU-PHDIDXHHSA-N
MW142.20 g/mol
LogP-0.03
Rot. Bonds1

About (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine

(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine (PubChem CID 90448010) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine
PubChem CID90448010
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine
SMILESC[C@@H](N)C1=CC[C@@H](N)CO1
InChIInChI=1S/C7H14N2O/c1-5(8)7-3-2-6(9)4-10-7/h3,5-6H,2,4,8-9H2,1H3/t5-,6-/m1/s1
InChIKeyVYJODKFPMASDBU-PHDIDXHHSA-N
XLogP-0.03
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine (CID 90448010) is (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine is C[C@@H](N)C1=CC[C@@H](N)CO1.
What is the InChIKey of (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is VYJODKFPMASDBU-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(8)7-3-2-6(9)4-10-7/h3,5-6H,2,4,8-9H2,1H3/t5-,6-/m1/s1.
What are the key properties of (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine?
(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 142.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 90448010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).