1-ethoxyoct-7-en-4-amine

C10H21NO — CID 105153516

IUPAC1-ethoxyoct-7-en-4-amine
SMILESC=CCCC(N)CCCOCC
InChIInChI=1S/C10H21NO/c1-3-5-7-10(11)8-6-9-12-4-2/h3,10H,1,4-9,11H2,2H3
InChIKeyRDFPVXIZZWZKAV-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds8

About 1-ethoxyoct-7-en-4-amine

1-ethoxyoct-7-en-4-amine (PubChem CID 105153516) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-ethoxyoct-7-en-4-amine.

Molecular Properties

Compound Name1-ethoxyoct-7-en-4-amine
PubChem CID105153516
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-ethoxyoct-7-en-4-amine
SMILESC=CCCC(N)CCCOCC
InChIInChI=1S/C10H21NO/c1-3-5-7-10(11)8-6-9-12-4-2/h3,10H,1,4-9,11H2,2H3
InChIKeyRDFPVXIZZWZKAV-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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-ethoxyoct-7-en-4-amine?
The IUPAC name of 1-ethoxyoct-7-en-4-amine (CID 105153516) is 1-ethoxyoct-7-en-4-amine.
What is the SMILES notation for 1-ethoxyoct-7-en-4-amine?
The canonical SMILES for 1-ethoxyoct-7-en-4-amine is C=CCCC(N)CCCOCC.
What is the InChIKey of 1-ethoxyoct-7-en-4-amine?
The InChIKey is RDFPVXIZZWZKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-7-10(11)8-6-9-12-4-2/h3,10H,1,4-9,11H2,2H3.
What are the key properties of 1-ethoxyoct-7-en-4-amine?
1-ethoxyoct-7-en-4-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyoct-7-en-4-amine is sourced from PubChem (CID 105153516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).