[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine

C11H17NO2 — CID 76943700

IUPAC[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
SMILESCC=CCOCc1cc(CN)oc1C
InChIInChI=1S/C11H17NO2/c1-3-4-5-13-8-10-6-11(7-12)14-9(10)2/h3-4,6H,5,7-8,12H2,1-2H3
InChIKeyJHKIVTQSGTUUIM-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.14
Rot. Bonds5

About [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine

[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine (PubChem CID 76943700) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
PubChem CID76943700
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
SMILESCC=CCOCc1cc(CN)oc1C
InChIInChI=1S/C11H17NO2/c1-3-4-5-13-8-10-6-11(7-12)14-9(10)2/h3-4,6H,5,7-8,12H2,1-2H3
InChIKeyJHKIVTQSGTUUIM-UHFFFAOYSA-N
XLogP2.14
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.14
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'}

Analyze [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113292
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
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455126
[5-(aminomethyl)-2-methylfuran-3-yl]methanol
CID 82502468
[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine
CID 103490685
[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62445276
[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 107661009

Frequently Asked Questions

What is the IUPAC name of [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine (CID 76943700) is [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine is CC=CCOCc1cc(CN)oc1C.
What is the InChIKey of [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine?
The InChIKey is JHKIVTQSGTUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-13-8-10-6-11(7-12)14-9(10)2/h3-4,6H,5,7-8,12H2,1-2H3.
What are the key properties of [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine?
[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 76943700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).