[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine

C13H23NO4 — CID 103406682

IUPAC[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
SMILESCOCCOCCCOCc1cc(CN)c(C)o1
InChIInChI=1S/C13H23NO4/c1-11-12(9-14)8-13(18-11)10-17-5-3-4-16-7-6-15-2/h8H,3-7,9-10,14H2,1-2H3
InChIKeyVDGREXGWIVAROR-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.62
Rot. Bonds10

About [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine

[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine (PubChem CID 103406682) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
PubChem CID103406682
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
SMILESCOCCOCCCOCc1cc(CN)c(C)o1
InChIInChI=1S/C13H23NO4/c1-11-12(9-14)8-13(18-11)10-17-5-3-4-16-7-6-15-2/h8H,3-7,9-10,14H2,1-2H3
InChIKeyVDGREXGWIVAROR-UHFFFAOYSA-N
XLogP1.62
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
Ethyl 4-(aminomethyl)-5-methylfuran-2-carboxylate
CID 597199
(3-{[(Furan-2-yl)methoxy]methyl}phenyl)methanamine
CID 16784344
(2,5-Dimethylfuran-3-yl)methylazanium
CID 6932007
4-(Aminomethyl)-5-methylfuran-2-carboxylic acid
CID 795555
Ethyl 3-(aminomethyl)-2-furoate
CID 53444454
Ethyl 4-(aminomethyl)-5-(diethoxyphosphoryl-methyl)-2-furoate
CID 133064026
Ethyl 3-(aminomethyl)-5-(diethoxyphosphoryl-methyl)-2-furoate
CID 133064889
[5-[[4-(Trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 55072962
N-[[2-methyl-5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 55073156
N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 55073253
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 55073254

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine (CID 103406682) is [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine is COCCOCCCOCc1cc(CN)c(C)o1.
What is the InChIKey of [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is VDGREXGWIVAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-11-12(9-14)8-13(18-11)10-17-5-3-4-16-7-6-15-2/h8H,3-7,9-10,14H2,1-2H3.
What are the key properties of [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine?
[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 103406682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).