3-ethoxy-N,N-dimethylprop-2-en-1-amine

C7H15NO — CID 138108716

IUPAC3-ethoxy-N,N-dimethylprop-2-en-1-amine
SMILESCCOC=CCN(C)C
InChIInChI=1S/C7H15NO/c1-4-9-7-5-6-8(2)3/h5,7H,4,6H2,1-3H3
InChIKeyDKEUVYLDGMMDOH-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.10
Rot. Bonds4

About 3-ethoxy-N,N-dimethylprop-2-en-1-amine

3-ethoxy-N,N-dimethylprop-2-en-1-amine (PubChem CID 138108716) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-ethoxy-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-dimethylprop-2-en-1-amine
PubChem CID138108716
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-ethoxy-N,N-dimethylprop-2-en-1-amine
SMILESCCOC=CCN(C)C
InChIInChI=1S/C7H15NO/c1-4-9-7-5-6-8(2)3/h5,7H,4,6H2,1-3H3
InChIKeyDKEUVYLDGMMDOH-UHFFFAOYSA-N
XLogP1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-ethoxy-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 3-ethoxy-N,N-dimethylprop-2-en-1-amine (CID 138108716) is 3-ethoxy-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-ethoxy-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-ethoxy-N,N-dimethylprop-2-en-1-amine is CCOC=CCN(C)C.
What is the InChIKey of 3-ethoxy-N,N-dimethylprop-2-en-1-amine?
The InChIKey is DKEUVYLDGMMDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-9-7-5-6-8(2)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-dimethylprop-2-en-1-amine?
3-ethoxy-N,N-dimethylprop-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 138108716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).