2-(2H-pyran-2-yl)ethanamine

C7H11NO — CID 70082202

IUPAC2-(2H-pyran-2-yl)ethanamine
SMILESNCCC1C=CC=CO1
InChIInChI=1S/C7H11NO/c8-5-4-7-3-1-2-6-9-7/h1-3,6-7H,4-5,8H2
InChIKeyYXQSPVNQJWTILO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds2

About 2-(2H-pyran-2-yl)ethanamine

2-(2H-pyran-2-yl)ethanamine (PubChem CID 70082202) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2H-pyran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2H-pyran-2-yl)ethanamine
PubChem CID70082202
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2H-pyran-2-yl)ethanamine
SMILESNCCC1C=CC=CO1
InChIInChI=1S/C7H11NO/c8-5-4-7-3-1-2-6-9-7/h1-3,6-7H,4-5,8H2
InChIKeyYXQSPVNQJWTILO-UHFFFAOYSA-N
XLogP0.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-2-yl)ethanamine?
The IUPAC name of 2-(2H-pyran-2-yl)ethanamine (CID 70082202) is 2-(2H-pyran-2-yl)ethanamine.
What is the SMILES notation for 2-(2H-pyran-2-yl)ethanamine?
The canonical SMILES for 2-(2H-pyran-2-yl)ethanamine is NCCC1C=CC=CO1.
What is the InChIKey of 2-(2H-pyran-2-yl)ethanamine?
The InChIKey is YXQSPVNQJWTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-4-7-3-1-2-6-9-7/h1-3,6-7H,4-5,8H2.
What are the key properties of 2-(2H-pyran-2-yl)ethanamine?
2-(2H-pyran-2-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyran-2-yl)ethanamine is sourced from PubChem (CID 70082202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).