2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine

C13H24N2O2 — CID 62459505

IUPAC2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1cc(CN)oc1C
InChIInChI=1S/C13H24N2O2/c1-4-15(5-2)6-7-16-10-12-8-13(9-14)17-11(12)3/h8H,4-7,9-10,14H2,1-3H3
InChIKeyNOMUABQPQHESRV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.91
Rot. Bonds8

About 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine

2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine (PubChem CID 62459505) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
PubChem CID62459505
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1cc(CN)oc1C
InChIInChI=1S/C13H24N2O2/c1-4-15(5-2)6-7-16-10-12-8-13(9-14)17-11(12)3/h8H,4-7,9-10,14H2,1-3H3
InChIKeyNOMUABQPQHESRV-UHFFFAOYSA-N
XLogP1.91
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505780
3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 62459344
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
N'-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997752
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82952579
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113292
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 62436655
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825
[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
CID 76943700
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,2-diethylbutan-1-amine
CID 55072164
[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455126

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine (CID 62459505) is 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine is CCN(CC)CCOCc1cc(CN)oc1C.
What is the InChIKey of 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine?
The InChIKey is NOMUABQPQHESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15(5-2)6-7-16-10-12-8-13(9-14)17-11(12)3/h8H,4-7,9-10,14H2,1-3H3.
What are the key properties of 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine?
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine has a molecular weight of 240.35 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 62459505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).