2-(3,4-dihydro-2H-pyran-5-yl)ethanamine

C7H13NO — CID 55254109

IUPAC2-(3,4-dihydro-2H-pyran-5-yl)ethanamine
SMILESNCCC1=COCCC1
InChIInChI=1S/C7H13NO/c8-4-3-7-2-1-5-9-6-7/h6H,1-5,8H2
InChIKeyJJWWQXQAKWJPMG-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine

2-(3,4-dihydro-2H-pyran-5-yl)ethanamine (PubChem CID 55254109) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-5-yl)ethanamine
PubChem CID55254109
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3,4-dihydro-2H-pyran-5-yl)ethanamine
SMILESNCCC1=COCCC1
InChIInChI=1S/C7H13NO/c8-4-3-7-2-1-5-9-6-7/h6H,1-5,8H2
InChIKeyJJWWQXQAKWJPMG-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine (CID 55254109) is 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine is NCCC1=COCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The InChIKey is JJWWQXQAKWJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-4-3-7-2-1-5-9-6-7/h6H,1-5,8H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
2-(3,4-dihydro-2H-pyran-5-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-5-yl)ethanamine is sourced from PubChem (CID 55254109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).