1-(ethylamino)prop-2-yn-1-ol

C5H9NO — CID 123392756

IUPAC1-(ethylamino)prop-2-yn-1-ol
SMILESC#CC(O)NCC
InChIInChI=1S/C5H9NO/c1-3-5(7)6-4-2/h1,5-7H,4H2,2H3
InChIKeyBKAKWUYXQPQKEN-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.45
Rot. Bonds2

About 1-(ethylamino)prop-2-yn-1-ol

1-(ethylamino)prop-2-yn-1-ol (PubChem CID 123392756) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-(ethylamino)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(ethylamino)prop-2-yn-1-ol
PubChem CID123392756
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-(ethylamino)prop-2-yn-1-ol
SMILESC#CC(O)NCC
InChIInChI=1S/C5H9NO/c1-3-5(7)6-4-2/h1,5-7H,4H2,2H3
InChIKeyBKAKWUYXQPQKEN-UHFFFAOYSA-N
XLogP-0.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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-(ethylamino)prop-2-yn-1-ol?
The IUPAC name of 1-(ethylamino)prop-2-yn-1-ol (CID 123392756) is 1-(ethylamino)prop-2-yn-1-ol.
What is the SMILES notation for 1-(ethylamino)prop-2-yn-1-ol?
The canonical SMILES for 1-(ethylamino)prop-2-yn-1-ol is C#CC(O)NCC.
What is the InChIKey of 1-(ethylamino)prop-2-yn-1-ol?
The InChIKey is BKAKWUYXQPQKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h1,5-7H,4H2,2H3.
What are the key properties of 1-(ethylamino)prop-2-yn-1-ol?
1-(ethylamino)prop-2-yn-1-ol has a molecular weight of 99.13 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)prop-2-yn-1-ol is sourced from PubChem (CID 123392756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).