N-ethyl-1-methoxyoct-7-en-4-amine

C11H23NO — CID 65092466

IUPACN-ethyl-1-methoxyoct-7-en-4-amine
SMILESC=CCCC(CCCOC)NCC
InChIInChI=1S/C11H23NO/c1-4-6-8-11(12-5-2)9-7-10-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyZRJUPLDYHYRAEB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds9

About N-ethyl-1-methoxyoct-7-en-4-amine

N-ethyl-1-methoxyoct-7-en-4-amine (PubChem CID 65092466) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-1-methoxyoct-7-en-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxyoct-7-en-4-amine
PubChem CID65092466
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-1-methoxyoct-7-en-4-amine
SMILESC=CCCC(CCCOC)NCC
InChIInChI=1S/C11H23NO/c1-4-6-8-11(12-5-2)9-7-10-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyZRJUPLDYHYRAEB-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 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 ≤ 52.36
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 N-ethyl-1-methoxyoct-7-en-4-amine?
The IUPAC name of N-ethyl-1-methoxyoct-7-en-4-amine (CID 65092466) is N-ethyl-1-methoxyoct-7-en-4-amine.
What is the SMILES notation for N-ethyl-1-methoxyoct-7-en-4-amine?
The canonical SMILES for N-ethyl-1-methoxyoct-7-en-4-amine is C=CCCC(CCCOC)NCC.
What is the InChIKey of N-ethyl-1-methoxyoct-7-en-4-amine?
The InChIKey is ZRJUPLDYHYRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-8-11(12-5-2)9-7-10-13-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-methoxyoct-7-en-4-amine?
N-ethyl-1-methoxyoct-7-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxyoct-7-en-4-amine is sourced from PubChem (CID 65092466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).