2-ethoxy-N-ethylpent-4-en-1-amine

C9H19NO — CID 19107607

IUPAC2-ethoxy-N-ethylpent-4-en-1-amine
SMILESC=CCC(CNCC)OCC
InChIInChI=1S/C9H19NO/c1-4-7-9(11-6-3)8-10-5-2/h4,9-10H,1,5-8H2,2-3H3
InChIKeyMJUWONNTFBPQMN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds7

About 2-ethoxy-N-ethylpent-4-en-1-amine

2-ethoxy-N-ethylpent-4-en-1-amine (PubChem CID 19107607) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethoxy-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethylpent-4-en-1-amine
PubChem CID19107607
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethoxy-N-ethylpent-4-en-1-amine
SMILESC=CCC(CNCC)OCC
InChIInChI=1S/C9H19NO/c1-4-7-9(11-6-3)8-10-5-2/h4,9-10H,1,5-8H2,2-3H3
InChIKeyMJUWONNTFBPQMN-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethoxy-N-ethylpent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethylpent-4-en-1-amine?
The IUPAC name of 2-ethoxy-N-ethylpent-4-en-1-amine (CID 19107607) is 2-ethoxy-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethylpent-4-en-1-amine?
The canonical SMILES for 2-ethoxy-N-ethylpent-4-en-1-amine is C=CCC(CNCC)OCC.
What is the InChIKey of 2-ethoxy-N-ethylpent-4-en-1-amine?
The InChIKey is MJUWONNTFBPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7-9(11-6-3)8-10-5-2/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 2-ethoxy-N-ethylpent-4-en-1-amine?
2-ethoxy-N-ethylpent-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 19107607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).