1-prop-2-ynoxyethanamine

C5H9NO — CID 22236862

IUPAC1-prop-2-ynoxyethanamine
SMILESC#CCOC(C)N
InChIInChI=1S/C5H9NO/c1-3-4-7-5(2)6/h1,5H,4,6H2,2H3
InChIKeyPJEDPWJHBOFJQE-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.06
Rot. Bonds2

About 1-prop-2-ynoxyethanamine

1-prop-2-ynoxyethanamine (PubChem CID 22236862) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-prop-2-ynoxyethanamine.

Molecular Properties

Compound Name1-prop-2-ynoxyethanamine
PubChem CID22236862
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-prop-2-ynoxyethanamine
SMILESC#CCOC(C)N
InChIInChI=1S/C5H9NO/c1-3-4-7-5(2)6/h1,5H,4,6H2,2H3
InChIKeyPJEDPWJHBOFJQE-UHFFFAOYSA-N
XLogP-0.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynoxyethanamine?
The IUPAC name of 1-prop-2-ynoxyethanamine (CID 22236862) is 1-prop-2-ynoxyethanamine.
What is the SMILES notation for 1-prop-2-ynoxyethanamine?
The canonical SMILES for 1-prop-2-ynoxyethanamine is C#CCOC(C)N.
What is the InChIKey of 1-prop-2-ynoxyethanamine?
The InChIKey is PJEDPWJHBOFJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-7-5(2)6/h1,5H,4,6H2,2H3.
What are the key properties of 1-prop-2-ynoxyethanamine?
1-prop-2-ynoxyethanamine has a molecular weight of 99.13 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynoxyethanamine is sourced from PubChem (CID 22236862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).