2-dec-9-en-3-yloxyethanamine

C12H25NO — CID 156532732

IUPAC2-dec-9-en-3-yloxyethanamine
SMILESC=CCCCCCC(CC)OCCN
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-9-12(4-2)14-11-10-13/h3,12H,1,4-11,13H2,2H3
InChIKeyRJZVIYBCTZJLOI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.88
Rot. Bonds10

About 2-dec-9-en-3-yloxyethanamine

2-dec-9-en-3-yloxyethanamine (PubChem CID 156532732) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-dec-9-en-3-yloxyethanamine.

Molecular Properties

Compound Name2-dec-9-en-3-yloxyethanamine
PubChem CID156532732
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-dec-9-en-3-yloxyethanamine
SMILESC=CCCCCCC(CC)OCCN
InChIInChI=1S/C12H25NO/c1-3-5-6-7-8-9-12(4-2)14-11-10-13/h3,12H,1,4-11,13H2,2H3
InChIKeyRJZVIYBCTZJLOI-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-dec-9-en-3-yloxyethanamine?
The IUPAC name of 2-dec-9-en-3-yloxyethanamine (CID 156532732) is 2-dec-9-en-3-yloxyethanamine.
What is the SMILES notation for 2-dec-9-en-3-yloxyethanamine?
The canonical SMILES for 2-dec-9-en-3-yloxyethanamine is C=CCCCCCC(CC)OCCN.
What is the InChIKey of 2-dec-9-en-3-yloxyethanamine?
The InChIKey is RJZVIYBCTZJLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-7-8-9-12(4-2)14-11-10-13/h3,12H,1,4-11,13H2,2H3.
What are the key properties of 2-dec-9-en-3-yloxyethanamine?
2-dec-9-en-3-yloxyethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-en-3-yloxyethanamine is sourced from PubChem (CID 156532732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).