N-prop-2-ynoxyethanamine

C5H9NO — CID 19860177

IUPACN-prop-2-ynoxyethanamine
SMILESC#CCONCC
InChIInChI=1S/C5H9NO/c1-3-5-7-6-4-2/h1,6H,4-5H2,2H3
InChIKeyOUNLWLKAAQCOEZ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.16
Rot. Bonds3

About N-prop-2-ynoxyethanamine

N-prop-2-ynoxyethanamine (PubChem CID 19860177) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-prop-2-ynoxyethanamine.

Molecular Properties

Compound NameN-prop-2-ynoxyethanamine
PubChem CID19860177
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-prop-2-ynoxyethanamine
SMILESC#CCONCC
InChIInChI=1S/C5H9NO/c1-3-5-7-6-4-2/h1,6H,4-5H2,2H3
InChIKeyOUNLWLKAAQCOEZ-UHFFFAOYSA-N
XLogP0.16
TPSA21.26 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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynoxyethanamine?
The IUPAC name of N-prop-2-ynoxyethanamine (CID 19860177) is N-prop-2-ynoxyethanamine.
What is the SMILES notation for N-prop-2-ynoxyethanamine?
The canonical SMILES for N-prop-2-ynoxyethanamine is C#CCONCC.
What is the InChIKey of N-prop-2-ynoxyethanamine?
The InChIKey is OUNLWLKAAQCOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-5-7-6-4-2/h1,6H,4-5H2,2H3.
What are the key properties of N-prop-2-ynoxyethanamine?
N-prop-2-ynoxyethanamine has a molecular weight of 99.13 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynoxyethanamine is sourced from PubChem (CID 19860177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).