5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde

C13H21NO3 — CID 62121063

IUPAC5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde
SMILESCCC(CC)N(CCOC)c1ccc(C=O)o1
InChIInChI=1S/C13H21NO3/c1-4-11(5-2)14(8-9-16-3)13-7-6-12(10-15)17-13/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyMXSCQBXQAPXHRM-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.73
Rot. Bonds8

About 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde

5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde (PubChem CID 62121063) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde
PubChem CID62121063
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde
SMILESCCC(CC)N(CCOC)c1ccc(C=O)o1
InChIInChI=1S/C13H21NO3/c1-4-11(5-2)14(8-9-16-3)13-7-6-12(10-15)17-13/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyMXSCQBXQAPXHRM-UHFFFAOYSA-N
XLogP2.73
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde?
The IUPAC name of 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde (CID 62121063) is 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde is CCC(CC)N(CCOC)c1ccc(C=O)o1.
What is the InChIKey of 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde?
The InChIKey is MXSCQBXQAPXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-11(5-2)14(8-9-16-3)13-7-6-12(10-15)17-13/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde?
5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde has a molecular weight of 239.31 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(pentan-3-yl)amino]furan-2-carbaldehyde is sourced from PubChem (CID 62121063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).