1-(oxan-3-yl)ethanamine;hydrochloride

C7H16ClNO — CID 71758531

IUPAC1-(oxan-3-yl)ethanamine;hydrochloride
SMILESCC(N)C1CCCOC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(8)7-3-2-4-9-5-7;/h6-7H,2-5,8H2,1H3;1H
InChIKeyCPHBDOYIYBNGNN-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.18
Rot. Bonds1

About 1-(oxan-3-yl)ethanamine;hydrochloride

1-(oxan-3-yl)ethanamine;hydrochloride (PubChem CID 71758531) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 1-(oxan-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(oxan-3-yl)ethanamine;hydrochloride
PubChem CID71758531
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name1-(oxan-3-yl)ethanamine;hydrochloride
SMILESCC(N)C1CCCOC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(8)7-3-2-4-9-5-7;/h6-7H,2-5,8H2,1H3;1H
InChIKeyCPHBDOYIYBNGNN-UHFFFAOYSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(oxan-3-yl)ethanamine;hydrochloride (CID 71758531) is 1-(oxan-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(oxan-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(oxan-3-yl)ethanamine;hydrochloride is CC(N)C1CCCOC1.Cl.
What is the InChIKey of 1-(oxan-3-yl)ethanamine;hydrochloride?
The InChIKey is CPHBDOYIYBNGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6(8)7-3-2-4-9-5-7;/h6-7H,2-5,8H2,1H3;1H.
What are the key properties of 1-(oxan-3-yl)ethanamine;hydrochloride?
1-(oxan-3-yl)ethanamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71758531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).