2-ethoxy-N-prop-2-enylpent-1-en-3-amine

C10H19NO — CID 88758604

IUPAC2-ethoxy-N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(CC)C(=C)OCC
InChIInChI=1S/C10H19NO/c1-5-8-11-10(6-2)9(4)12-7-3/h5,10-11H,1,4,6-8H2,2-3H3
InChIKeyXFYITIJVZIEUAE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds7

About 2-ethoxy-N-prop-2-enylpent-1-en-3-amine

2-ethoxy-N-prop-2-enylpent-1-en-3-amine (PubChem CID 88758604) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-ethoxy-N-prop-2-enylpent-1-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-prop-2-enylpent-1-en-3-amine
PubChem CID88758604
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-ethoxy-N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(CC)C(=C)OCC
InChIInChI=1S/C10H19NO/c1-5-8-11-10(6-2)9(4)12-7-3/h5,10-11H,1,4,6-8H2,2-3H3
InChIKeyXFYITIJVZIEUAE-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-prop-2-enylpent-1-en-3-amine?
The IUPAC name of 2-ethoxy-N-prop-2-enylpent-1-en-3-amine (CID 88758604) is 2-ethoxy-N-prop-2-enylpent-1-en-3-amine.
What is the SMILES notation for 2-ethoxy-N-prop-2-enylpent-1-en-3-amine?
The canonical SMILES for 2-ethoxy-N-prop-2-enylpent-1-en-3-amine is C=CCNC(CC)C(=C)OCC.
What is the InChIKey of 2-ethoxy-N-prop-2-enylpent-1-en-3-amine?
The InChIKey is XFYITIJVZIEUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8-11-10(6-2)9(4)12-7-3/h5,10-11H,1,4,6-8H2,2-3H3.
What are the key properties of 2-ethoxy-N-prop-2-enylpent-1-en-3-amine?
2-ethoxy-N-prop-2-enylpent-1-en-3-amine has a molecular weight of 169.27 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-prop-2-enylpent-1-en-3-amine is sourced from PubChem (CID 88758604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).