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

C7H14ClNO — CID 71757140

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=CCOCC1
InChIInChI=1S/C7H13NO.ClH/c8-4-1-7-2-5-9-6-3-7;/h2H,1,3-6,8H2;1H
InChIKeyRPAPRPMTSOQXLU-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.10
Rot. Bonds2

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

2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride (PubChem CID 71757140) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride
PubChem CID71757140
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=CCOCC1
InChIInChI=1S/C7H13NO.ClH/c8-4-1-7-2-5-9-6-3-7;/h2H,1,3-6,8H2;1H
InChIKeyRPAPRPMTSOQXLU-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.10
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;hydrochloride?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride (CID 71757140) is 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride is Cl.NCCC1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride?
The InChIKey is RPAPRPMTSOQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c8-4-1-7-2-5-9-6-3-7;/h2H,1,3-6,8H2;1H.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride?
2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.10, 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;hydrochloride is sourced from PubChem (CID 71757140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).