5-aminopentane-1,2-diol;hydrochloride

C5H14ClNO2 — CID 86645443

IUPAC5-aminopentane-1,2-diol;hydrochloride
SMILESCl.NCCCC(O)CO
InChIInChI=1S/C5H13NO2.ClH/c6-3-1-2-5(8)4-7;/h5,7-8H,1-4,6H2;1H
InChIKeyXGLCCBGGPKKPIU-UHFFFAOYSA-N
MW155.62 g/mol
LogP-0.50
Rot. Bonds4

About 5-aminopentane-1,2-diol;hydrochloride

5-aminopentane-1,2-diol;hydrochloride (PubChem CID 86645443) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is 5-aminopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name5-aminopentane-1,2-diol;hydrochloride
PubChem CID86645443
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name5-aminopentane-1,2-diol;hydrochloride
SMILESCl.NCCCC(O)CO
InChIInChI=1S/C5H13NO2.ClH/c6-3-1-2-5(8)4-7;/h5,7-8H,1-4,6H2;1H
InChIKeyXGLCCBGGPKKPIU-UHFFFAOYSA-N
XLogP-0.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-aminopentane-1,2-diol;hydrochloride?
The IUPAC name of 5-aminopentane-1,2-diol;hydrochloride (CID 86645443) is 5-aminopentane-1,2-diol;hydrochloride.
What is the SMILES notation for 5-aminopentane-1,2-diol;hydrochloride?
The canonical SMILES for 5-aminopentane-1,2-diol;hydrochloride is Cl.NCCCC(O)CO.
What is the InChIKey of 5-aminopentane-1,2-diol;hydrochloride?
The InChIKey is XGLCCBGGPKKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c6-3-1-2-5(8)4-7;/h5,7-8H,1-4,6H2;1H.
What are the key properties of 5-aminopentane-1,2-diol;hydrochloride?
5-aminopentane-1,2-diol;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 86645443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).