1-(3,4-dihydro-2H-pyran-2-yl)ethanamine

C7H13NO — CID 68776983

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)ethanamine
SMILESCC(N)C1CCC=CO1
InChIInChI=1S/C7H13NO/c1-6(8)7-4-2-3-5-9-7/h3,5-7H,2,4,8H2,1H3
InChIKeyZDWYXYUQYAOOSP-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine

1-(3,4-dihydro-2H-pyran-2-yl)ethanamine (PubChem CID 68776983) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)ethanamine
PubChem CID68776983
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)ethanamine
SMILESCC(N)C1CCC=CO1
InChIInChI=1S/C7H13NO/c1-6(8)7-4-2-3-5-9-7/h3,5-7H,2,4,8H2,1H3
InChIKeyZDWYXYUQYAOOSP-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine (CID 68776983) is 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine is CC(N)C1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
The InChIKey is ZDWYXYUQYAOOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(8)7-4-2-3-5-9-7/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
1-(3,4-dihydro-2H-pyran-2-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)ethanamine is sourced from PubChem (CID 68776983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).