N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine

C14H19NO3 — CID 55073492

IUPACN-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCc2ccco2)o1
InChIInChI=1S/C14H19NO3/c1-2-7-15-9-12-5-6-14(18-12)11-16-10-13-4-3-8-17-13/h3-6,8,15H,2,7,9-11H2,1H3
InChIKeyLBNRUNPBWAGRIA-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.09
Rot. Bonds8

About N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 55073492) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID55073492
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCc2ccco2)o1
InChIInChI=1S/C14H19NO3/c1-2-7-15-9-12-5-6-14(18-12)11-16-10-13-4-3-8-17-13/h3-6,8,15H,2,7,9-11H2,1H3
InChIKeyLBNRUNPBWAGRIA-UHFFFAOYSA-N
XLogP3.09
TPSA47.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62443693
N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62456496
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
4-(furan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62464220
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 55073492) is N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCc2ccco2)o1.
What is the InChIKey of N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is LBNRUNPBWAGRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-7-15-9-12-5-6-14(18-12)11-16-10-13-4-3-8-17-13/h3-6,8,15H,2,7,9-11H2,1H3.
What are the key properties of N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 249.31 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).