3-(diethylamino)prop-1-en-1-ol

C7H15NO — CID 173388883

IUPAC3-(diethylamino)prop-1-en-1-ol
SMILESCCN(CC)CC=CO
InChIInChI=1S/C7H15NO/c1-3-8(4-2)6-5-7-9/h5,7,9H,3-4,6H2,1-2H3
InChIKeyFCFYDKGVQAIIBA-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.40
Rot. Bonds4

About 3-(diethylamino)prop-1-en-1-ol

3-(diethylamino)prop-1-en-1-ol (PubChem CID 173388883) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(diethylamino)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(diethylamino)prop-1-en-1-ol
PubChem CID173388883
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(diethylamino)prop-1-en-1-ol
SMILESCCN(CC)CC=CO
InChIInChI=1S/C7H15NO/c1-3-8(4-2)6-5-7-9/h5,7,9H,3-4,6H2,1-2H3
InChIKeyFCFYDKGVQAIIBA-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)prop-1-en-1-ol?
The IUPAC name of 3-(diethylamino)prop-1-en-1-ol (CID 173388883) is 3-(diethylamino)prop-1-en-1-ol.
What is the SMILES notation for 3-(diethylamino)prop-1-en-1-ol?
The canonical SMILES for 3-(diethylamino)prop-1-en-1-ol is CCN(CC)CC=CO.
What is the InChIKey of 3-(diethylamino)prop-1-en-1-ol?
The InChIKey is FCFYDKGVQAIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-8(4-2)6-5-7-9/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 3-(diethylamino)prop-1-en-1-ol?
3-(diethylamino)prop-1-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)prop-1-en-1-ol is sourced from PubChem (CID 173388883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).