[2-(but-3-enoxymethyl)furan-3-yl]methanamine

C10H15NO2 — CID 62440746

IUPAC[2-(but-3-enoxymethyl)furan-3-yl]methanamine
SMILESC=CCCOCc1occc1CN
InChIInChI=1S/C10H15NO2/c1-2-3-5-12-8-10-9(7-11)4-6-13-10/h2,4,6H,1,3,5,7-8,11H2
InChIKeyRULKHDNGUMYPQA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.83
Rot. Bonds6

About [2-(but-3-enoxymethyl)furan-3-yl]methanamine

[2-(but-3-enoxymethyl)furan-3-yl]methanamine (PubChem CID 62440746) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [2-(but-3-enoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(but-3-enoxymethyl)furan-3-yl]methanamine
PubChem CID62440746
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[2-(but-3-enoxymethyl)furan-3-yl]methanamine
SMILESC=CCCOCc1occc1CN
InChIInChI=1S/C10H15NO2/c1-2-3-5-12-8-10-9(7-11)4-6-13-10/h2,4,6H,1,3,5,7-8,11H2
InChIKeyRULKHDNGUMYPQA-UHFFFAOYSA-N
XLogP1.83
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.83
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-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
[5-(but-3-enoxymethyl)furan-2-yl]methanamine
CID 62440744
[2-[(3-methoxy-3-methylbutoxy)methyl]furan-3-yl]methanamine
CID 106667874
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
[2-(2,2,3,3-tetrafluoropropoxymethyl)furan-3-yl]methanamine
CID 62456003
2,3-bis(propoxymethyl)furan
CID 141282327
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
N-[[3-(pent-4-enoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 79113810
2-[4-(but-3-enoxymethyl)phenyl]ethanamine
CID 105348936
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
CID 112589909
[2-(2-methylpropyl)furan-3-yl]methanamine
CID 82416814

Frequently Asked Questions

What is the IUPAC name of [2-(but-3-enoxymethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(but-3-enoxymethyl)furan-3-yl]methanamine (CID 62440746) is [2-(but-3-enoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(but-3-enoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(but-3-enoxymethyl)furan-3-yl]methanamine is C=CCCOCc1occc1CN.
What is the InChIKey of [2-(but-3-enoxymethyl)furan-3-yl]methanamine?
The InChIKey is RULKHDNGUMYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-5-12-8-10-9(7-11)4-6-13-10/h2,4,6H,1,3,5,7-8,11H2.
What are the key properties of [2-(but-3-enoxymethyl)furan-3-yl]methanamine?
[2-(but-3-enoxymethyl)furan-3-yl]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(but-3-enoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62440746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).