N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine

C13H21NO2 — CID 76943533

IUPACN-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC=CCOCc1ccc(CNC(C)C)o1
InChIInChI=1S/C13H21NO2/c1-4-5-8-15-10-13-7-6-12(16-13)9-14-11(2)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyXFMFSFNNEZDXMM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.87
Rot. Bonds7

About N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 76943533) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID76943533
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC=CCOCc1ccc(CNC(C)C)o1
InChIInChI=1S/C13H21NO2/c1-4-5-8-15-10-13-7-6-12(16-13)9-14-11(2)3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyXFMFSFNNEZDXMM-UHFFFAOYSA-N
XLogP2.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62443693
N-[[5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62459300
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746
N-[[5-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62452453
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
CID 115710576
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 107286059
N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine
CID 19917104
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 76943780
methyl 3-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]propanoate
CID 113372530

Frequently Asked Questions

What is the IUPAC name of N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine (CID 76943533) is N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine is CC=CCOCc1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is XFMFSFNNEZDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-8-15-10-13-7-6-12(16-13)9-14-11(2)3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(but-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 76943533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).