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

C11H17NO2 — CID 76943462

IUPAC1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
SMILESCC=CCOCc1occc1CNC
InChIInChI=1S/C11H17NO2/c1-3-4-6-13-9-11-10(8-12-2)5-7-14-11/h3-5,7,12H,6,8-9H2,1-2H3
InChIKeyCJZPYTUXEYTRMX-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.09
Rot. Bonds6

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

1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine (PubChem CID 76943462) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
PubChem CID76943462
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
SMILESCC=CCOCc1occc1CNC
InChIInChI=1S/C11H17NO2/c1-3-4-6-13-9-11-10(8-12-2)5-7-14-11/h3-5,7,12H,6,8-9H2,1-2H3
InChIKeyCJZPYTUXEYTRMX-UHFFFAOYSA-N
XLogP2.09
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine
CID 114470811
N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
1-[2-(cyclopentylmethoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66321220
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methanamine
CID 55133858
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine
CID 62455359
3-(but-2-enoxymethyl)furan-2-carboxylic acid
CID 76938194
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)furan-3-yl]-N-methylmethanamine
CID 102723192
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698

Frequently Asked Questions

What is the IUPAC name of 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine (CID 76943462) is 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine is CC=CCOCc1occc1CNC.
What is the InChIKey of 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine?
The InChIKey is CJZPYTUXEYTRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-6-13-9-11-10(8-12-2)5-7-14-11/h3-5,7,12H,6,8-9H2,1-2H3.
What are the key properties of 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine?
1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine has a molecular weight of 195.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 76943462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).