2-prop-2-ynoxyethanamine;hydrochloride

C5H10ClNO — CID 75480711

IUPAC2-prop-2-ynoxyethanamine;hydrochloride
SMILESC#CCOCCN.Cl
InChIInChI=1S/C5H9NO.ClH/c1-2-4-7-5-3-6;/h1H,3-6H2;1H
InChIKeyOMNHPJKBHJSWNE-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.02
Rot. Bonds3

About 2-prop-2-ynoxyethanamine;hydrochloride

2-prop-2-ynoxyethanamine;hydrochloride (PubChem CID 75480711) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 2-prop-2-ynoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-prop-2-ynoxyethanamine;hydrochloride
PubChem CID75480711
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name2-prop-2-ynoxyethanamine;hydrochloride
SMILESC#CCOCCN.Cl
InChIInChI=1S/C5H9NO.ClH/c1-2-4-7-5-3-6;/h1H,3-6H2;1H
InChIKeyOMNHPJKBHJSWNE-UHFFFAOYSA-N
XLogP0.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynoxyethanamine;hydrochloride?
The IUPAC name of 2-prop-2-ynoxyethanamine;hydrochloride (CID 75480711) is 2-prop-2-ynoxyethanamine;hydrochloride.
What is the SMILES notation for 2-prop-2-ynoxyethanamine;hydrochloride?
The canonical SMILES for 2-prop-2-ynoxyethanamine;hydrochloride is C#CCOCCN.Cl.
What is the InChIKey of 2-prop-2-ynoxyethanamine;hydrochloride?
The InChIKey is OMNHPJKBHJSWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-2-4-7-5-3-6;/h1H,3-6H2;1H.
What are the key properties of 2-prop-2-ynoxyethanamine;hydrochloride?
2-prop-2-ynoxyethanamine;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxyethanamine;hydrochloride is sourced from PubChem (CID 75480711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).