3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride

C8H16ClNO2 — CID 55255755

IUPAC3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)C1=COCCC1
InChIInChI=1S/C8H15NO2.ClH/c9-8(3-4-10)7-2-1-5-11-6-7;/h6,8,10H,1-5,9H2;1H
InChIKeyZMBDXGLMKFVQSE-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.81
Rot. Bonds3

About 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride

3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride (PubChem CID 55255755) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
PubChem CID55255755
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)C1=COCCC1
InChIInChI=1S/C8H15NO2.ClH/c9-8(3-4-10)7-2-1-5-11-6-7;/h6,8,10H,1-5,9H2;1H
InChIKeyZMBDXGLMKFVQSE-UHFFFAOYSA-N
XLogP0.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride (CID 55255755) is 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride is Cl.NC(CCO)C1=COCCC1.
What is the InChIKey of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride?
The InChIKey is ZMBDXGLMKFVQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c9-8(3-4-10)7-2-1-5-11-6-7;/h6,8,10H,1-5,9H2;1H.
What are the key properties of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride?
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 55255755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).