1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine

C11H17NO2 — CID 62443034

IUPAC1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESC=CCCOCc1ccc(CNC)o1
InChIInChI=1S/C11H17NO2/c1-3-4-7-13-9-11-6-5-10(14-11)8-12-2/h3,5-6,12H,1,4,7-9H2,2H3
InChIKeyCJMCOGMZPGEADV-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.09
Rot. Bonds7

About 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine

1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 62443034) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
PubChem CID62443034
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESC=CCCOCc1ccc(CNC)o1
InChIInChI=1S/C11H17NO2/c1-3-4-7-13-9-11-6-5-10(14-11)8-12-2/h3,5-6,12H,1,4,7-9H2,2H3
InChIKeyCJMCOGMZPGEADV-UHFFFAOYSA-N
XLogP2.09
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.09
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'}

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Related Compounds

[5-(but-3-enoxymethyl)furan-2-yl]methanamine
CID 62440744
1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62440946
2-methyl-N-[[5-(pent-4-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 79114107
N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505791
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine
CID 55078089
N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113639
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 55077090
1-[3-(but-3-enoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107456756
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272

Frequently Asked Questions

What is the IUPAC name of 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine (CID 62443034) is 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine is C=CCCOCc1ccc(CNC)o1.
What is the InChIKey of 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is CJMCOGMZPGEADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-7-13-9-11-6-5-10(14-11)8-12-2/h3,5-6,12H,1,4,7-9H2,2H3.
What are the key properties of 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine?
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 195.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62443034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).