2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

C7H13NO — CID 71757141

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESNCCC1=CCOCC1
InChIInChI=1S/C7H13NO/c8-4-1-7-2-5-9-6-3-7/h2H,1,3-6,8H2
InChIKeyTZQPRJMTBOOQSL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (PubChem CID 71757141) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
PubChem CID71757141
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESNCCC1=CCOCC1
InChIInChI=1S/C7H13NO/c8-4-1-7-2-5-9-6-3-7/h2H,1,3-6,8H2
InChIKeyTZQPRJMTBOOQSL-UHFFFAOYSA-N
XLogP0.68
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 ≤ 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 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (CID 71757141) is 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is NCCC1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The InChIKey is TZQPRJMTBOOQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-4-1-7-2-5-9-6-3-7/h2H,1,3-6,8H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
2-(3,6-dihydro-2H-pyran-4-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is sourced from PubChem (CID 71757141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).