N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine

C13H21NO2 — CID 62442858

IUPACN-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESC=CCCOCc1occc1CNCCC
InChIInChI=1S/C13H21NO2/c1-3-5-8-15-11-13-12(6-9-16-13)10-14-7-4-2/h3,6,9,14H,1,4-5,7-8,10-11H2,2H3
InChIKeyFKPVQRWJOFGDMJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.87
Rot. Bonds9

About N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine

N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62442858) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62442858
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESC=CCCOCc1occc1CNCCC
InChIInChI=1S/C13H21NO2/c1-3-5-8-15-11-13-12(6-9-16-13)10-14-7-4-2/h3,6,9,14H,1,4-5,7-8,10-11H2,2H3
InChIKeyFKPVQRWJOFGDMJ-UHFFFAOYSA-N
XLogP2.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.87
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-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
[2-(but-3-enoxymethyl)furan-3-yl]methanamine
CID 62440746
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62443231
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446087
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350

Frequently Asked Questions

What is the IUPAC name of N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 62442858) is N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine is C=CCCOCc1occc1CNCCC.
What is the InChIKey of N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is FKPVQRWJOFGDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-8-15-11-13-12(6-9-16-13)10-14-7-4-2/h3,6,9,14H,1,4-5,7-8,10-11H2,2H3.
What are the key properties of N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine?
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62442858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).