2-prop-2-ynoxyethanamine

C5H9NO — CID 18356755

IUPAC2-prop-2-ynoxyethanamine
SMILESC#CCOCCN
InChIInChI=1S/C5H9NO/c1-2-4-7-5-3-6/h1H,3-6H2
InChIKeyMZFRRBQTCNHISM-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.41
Rot. Bonds3

About 2-prop-2-ynoxyethanamine

2-prop-2-ynoxyethanamine (PubChem CID 18356755) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-prop-2-ynoxyethanamine.

Molecular Properties

Compound Name2-prop-2-ynoxyethanamine
PubChem CID18356755
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-prop-2-ynoxyethanamine
SMILESC#CCOCCN
InChIInChI=1S/C5H9NO/c1-2-4-7-5-3-6/h1H,3-6H2
InChIKeyMZFRRBQTCNHISM-UHFFFAOYSA-N
XLogP-0.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.41
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?
The IUPAC name of 2-prop-2-ynoxyethanamine (CID 18356755) is 2-prop-2-ynoxyethanamine.
What is the SMILES notation for 2-prop-2-ynoxyethanamine?
The canonical SMILES for 2-prop-2-ynoxyethanamine is C#CCOCCN.
What is the InChIKey of 2-prop-2-ynoxyethanamine?
The InChIKey is MZFRRBQTCNHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h1H,3-6H2.
What are the key properties of 2-prop-2-ynoxyethanamine?
2-prop-2-ynoxyethanamine has a molecular weight of 99.13 g/mol, XLogP of -0.41, 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 is sourced from PubChem (CID 18356755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).