2-hex-5-enoxyethanamine

C8H17NO — CID 59316214

IUPAC2-hex-5-enoxyethanamine
SMILESC=CCCCCOCCN
InChIInChI=1S/C8H17NO/c1-2-3-4-5-7-10-8-6-9/h2H,1,3-9H2
InChIKeyZNXLOUYFYWMLFM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds7

About 2-hex-5-enoxyethanamine

2-hex-5-enoxyethanamine (PubChem CID 59316214) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-hex-5-enoxyethanamine.

Molecular Properties

Compound Name2-hex-5-enoxyethanamine
PubChem CID59316214
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-hex-5-enoxyethanamine
SMILESC=CCCCCOCCN
InChIInChI=1S/C8H17NO/c1-2-3-4-5-7-10-8-6-9/h2H,1,3-9H2
InChIKeyZNXLOUYFYWMLFM-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hex-5-enoxyethanamine 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-hex-5-enoxyethanamine?
The IUPAC name of 2-hex-5-enoxyethanamine (CID 59316214) is 2-hex-5-enoxyethanamine.
What is the SMILES notation for 2-hex-5-enoxyethanamine?
The canonical SMILES for 2-hex-5-enoxyethanamine is C=CCCCCOCCN.
What is the InChIKey of 2-hex-5-enoxyethanamine?
The InChIKey is ZNXLOUYFYWMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-7-10-8-6-9/h2H,1,3-9H2.
What are the key properties of 2-hex-5-enoxyethanamine?
2-hex-5-enoxyethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enoxyethanamine is sourced from PubChem (CID 59316214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).