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

C12H19NO2 — CID 62440946

IUPAC1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
SMILESC=CCCOCc1cc(C)c(CNC)o1
InChIInChI=1S/C12H19NO2/c1-4-5-6-14-9-11-7-10(2)12(15-11)8-13-3/h4,7,13H,1,5-6,8-9H2,2-3H3
InChIKeyHJZKWJBOZUKZJQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.40
Rot. Bonds7

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

1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62440946) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62440946
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
SMILESC=CCCOCc1cc(C)c(CNC)o1
InChIInChI=1S/C12H19NO2/c1-4-5-6-14-9-11-7-10(2)12(15-11)8-13-3/h4,7,13H,1,5-6,8-9H2,2-3H3
InChIKeyHJZKWJBOZUKZJQ-UHFFFAOYSA-N
XLogP2.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.40
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-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113639
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
1-[5-(2-cyclobutylethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 106206153
5-(but-3-enoxymethyl)-3-methylfuran-2-carboxylic acid
CID 43620826
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356

Frequently Asked Questions

What is the IUPAC name of 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine (CID 62440946) is 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine is C=CCCOCc1cc(C)c(CNC)o1.
What is the InChIKey of 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is HJZKWJBOZUKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-5-6-14-9-11-7-10(2)12(15-11)8-13-3/h4,7,13H,1,5-6,8-9H2,2-3H3.
What are the key properties of 1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.40, 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)-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62440946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).