[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine

C12H19NO2 — CID 79113292

IUPAC[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCCCOCc1cc(CN)oc1C
InChIInChI=1S/C12H19NO2/c1-3-4-5-6-14-9-11-7-12(8-13)15-10(11)2/h3,7H,1,4-6,8-9,13H2,2H3
InChIKeyUGZIIIKKNATXKP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.53
Rot. Bonds7

About [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine

[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine (PubChem CID 79113292) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
PubChem CID79113292
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCCCOCc1cc(CN)oc1C
InChIInChI=1S/C12H19NO2/c1-3-4-5-6-14-9-11-7-12(8-13)15-10(11)2/h3,7H,1,4-6,8-9,13H2,2H3
InChIKeyUGZIIIKKNATXKP-UHFFFAOYSA-N
XLogP2.53
TPSA48.39 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 ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine (CID 79113292) is [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine is C=CCCCOCc1cc(CN)oc1C.
What is the InChIKey of [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine?
The InChIKey is UGZIIIKKNATXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-4-5-6-14-9-11-7-12(8-13)15-10(11)2/h3,7H,1,4-6,8-9,13H2,2H3.
What are the key properties of [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 79113292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).