1-ethoxynon-8-en-4-amine

C11H23NO — CID 105153203

IUPAC1-ethoxynon-8-en-4-amine
SMILESC=CCCCC(N)CCCOCC
InChIInChI=1S/C11H23NO/c1-3-5-6-8-11(12)9-7-10-13-4-2/h3,11H,1,4-10,12H2,2H3
InChIKeyMLHCYEDAKDQFNV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds9

About 1-ethoxynon-8-en-4-amine

1-ethoxynon-8-en-4-amine (PubChem CID 105153203) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-ethoxynon-8-en-4-amine.

Molecular Properties

Compound Name1-ethoxynon-8-en-4-amine
PubChem CID105153203
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-ethoxynon-8-en-4-amine
SMILESC=CCCCC(N)CCCOCC
InChIInChI=1S/C11H23NO/c1-3-5-6-8-11(12)9-7-10-13-4-2/h3,11H,1,4-10,12H2,2H3
InChIKeyMLHCYEDAKDQFNV-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
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 1-ethoxynon-8-en-4-amine?
The IUPAC name of 1-ethoxynon-8-en-4-amine (CID 105153203) is 1-ethoxynon-8-en-4-amine.
What is the SMILES notation for 1-ethoxynon-8-en-4-amine?
The canonical SMILES for 1-ethoxynon-8-en-4-amine is C=CCCCC(N)CCCOCC.
What is the InChIKey of 1-ethoxynon-8-en-4-amine?
The InChIKey is MLHCYEDAKDQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-8-11(12)9-7-10-13-4-2/h3,11H,1,4-10,12H2,2H3.
What are the key properties of 1-ethoxynon-8-en-4-amine?
1-ethoxynon-8-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxynon-8-en-4-amine is sourced from PubChem (CID 105153203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).