2-octa-1,7-dien-4-yloxyethanamine

C10H19NO — CID 87283410

IUPAC2-octa-1,7-dien-4-yloxyethanamine
SMILESC=CCCC(CC=C)OCCN
InChIInChI=1S/C10H19NO/c1-3-5-7-10(6-4-2)12-9-8-11/h3-4,10H,1-2,5-9,11H2
InChIKeyRPAISZVOQXZNSF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds8

About 2-octa-1,7-dien-4-yloxyethanamine

2-octa-1,7-dien-4-yloxyethanamine (PubChem CID 87283410) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-octa-1,7-dien-4-yloxyethanamine.

Molecular Properties

Compound Name2-octa-1,7-dien-4-yloxyethanamine
PubChem CID87283410
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-octa-1,7-dien-4-yloxyethanamine
SMILESC=CCCC(CC=C)OCCN
InChIInChI=1S/C10H19NO/c1-3-5-7-10(6-4-2)12-9-8-11/h3-4,10H,1-2,5-9,11H2
InChIKeyRPAISZVOQXZNSF-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octa-1,7-dien-4-yloxyethanamine?
The IUPAC name of 2-octa-1,7-dien-4-yloxyethanamine (CID 87283410) is 2-octa-1,7-dien-4-yloxyethanamine.
What is the SMILES notation for 2-octa-1,7-dien-4-yloxyethanamine?
The canonical SMILES for 2-octa-1,7-dien-4-yloxyethanamine is C=CCCC(CC=C)OCCN.
What is the InChIKey of 2-octa-1,7-dien-4-yloxyethanamine?
The InChIKey is RPAISZVOQXZNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-7-10(6-4-2)12-9-8-11/h3-4,10H,1-2,5-9,11H2.
What are the key properties of 2-octa-1,7-dien-4-yloxyethanamine?
2-octa-1,7-dien-4-yloxyethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octa-1,7-dien-4-yloxyethanamine is sourced from PubChem (CID 87283410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).