2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine

C10H18N2O2 — CID 62459822

IUPAC2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCc1ccc(CN)o1
InChIInChI=1S/C10H18N2O2/c1-12(2)5-6-13-8-10-4-3-9(7-11)14-10/h3-4H,5-8,11H2,1-2H3
InChIKeyVUPVRRYFNDMSIF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.82
Rot. Bonds6

About 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine

2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 62459822) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine
PubChem CID62459822
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCc1ccc(CN)o1
InChIInChI=1S/C10H18N2O2/c1-12(2)5-6-13-8-10-4-3-9(7-11)14-10/h3-4H,5-8,11H2,1-2H3
InChIKeyVUPVRRYFNDMSIF-UHFFFAOYSA-N
XLogP0.82
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine (CID 62459822) is 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine is CN(C)CCOCc1ccc(CN)o1.
What is the InChIKey of 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine?
The InChIKey is VUPVRRYFNDMSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-12(2)5-6-13-8-10-4-3-9(7-11)14-10/h3-4H,5-8,11H2,1-2H3.
What are the key properties of 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine?
2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 62459822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).