5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde

C13H22N2O2 — CID 55040007

IUPAC5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde
SMILESCC(C)CN(CCN(C)C)c1ccc(C=O)o1
InChIInChI=1S/C13H22N2O2/c1-11(2)9-15(8-7-14(3)4)13-6-5-12(10-16)17-13/h5-6,10-11H,7-9H2,1-4H3
InChIKeySJKQKHIJBDZHTA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.12
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde

5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde (PubChem CID 55040007) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde
PubChem CID55040007
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde
SMILESCC(C)CN(CCN(C)C)c1ccc(C=O)o1
InChIInChI=1S/C13H22N2O2/c1-11(2)9-15(8-7-14(3)4)13-6-5-12(10-16)17-13/h5-6,10-11H,7-9H2,1-4H3
InChIKeySJKQKHIJBDZHTA-UHFFFAOYSA-N
XLogP2.12
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.12
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-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde (CID 55040007) is 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde is CC(C)CN(CCN(C)C)c1ccc(C=O)o1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde?
The InChIKey is SJKQKHIJBDZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)9-15(8-7-14(3)4)13-6-5-12(10-16)17-13/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde?
5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde has a molecular weight of 238.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]furan-2-carbaldehyde is sourced from PubChem (CID 55040007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).