N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine

C11H23NO2 — CID 79598813

IUPACN-(2-methoxyethyl)-5-propoxypent-3-en-1-amine
SMILESCCCOCC=CCCNCCOC
InChIInChI=1S/C11H23NO2/c1-3-9-14-10-6-4-5-7-12-8-11-13-2/h4,6,12H,3,5,7-11H2,1-2H3
InChIKeyMESLVASPIQMWRS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.60
Rot. Bonds10

About N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine

N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine (PubChem CID 79598813) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-propoxypent-3-en-1-amine
PubChem CID79598813
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-methoxyethyl)-5-propoxypent-3-en-1-amine
SMILESCCCOCC=CCCNCCOC
InChIInChI=1S/C11H23NO2/c1-3-9-14-10-6-4-5-7-12-8-11-13-2/h4,6,12H,3,5,7-11H2,1-2H3
InChIKeyMESLVASPIQMWRS-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-5-propoxypent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine (CID 79598813) is N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine is CCCOCC=CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine?
The InChIKey is MESLVASPIQMWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-9-14-10-6-4-5-7-12-8-11-13-2/h4,6,12H,3,5,7-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine?
N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-propoxypent-3-en-1-amine is sourced from PubChem (CID 79598813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).