N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine

C14H25NO2 — CID 66227074

IUPACN-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COCCC(C)(C)C)c1
InChIInChI=1S/C14H25NO2/c1-5-15-9-12-8-13(17-10-12)11-16-7-6-14(2,3)4/h8,10,15H,5-7,9,11H2,1-4H3
InChIKeyLZDTULNHKAXTLR-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.34
Rot. Bonds7

About N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine

N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine (PubChem CID 66227074) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
PubChem CID66227074
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COCCC(C)(C)C)c1
InChIInChI=1S/C14H25NO2/c1-5-15-9-12-8-13(17-10-12)11-16-7-6-14(2,3)4/h8,10,15H,5-7,9,11H2,1-4H3
InChIKeyLZDTULNHKAXTLR-UHFFFAOYSA-N
XLogP3.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66227292
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82832395
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452104
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62451469
N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62463352

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine (CID 66227074) is N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine is CCNCc1coc(COCCC(C)(C)C)c1.
What is the InChIKey of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is LZDTULNHKAXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-15-9-12-8-13(17-10-12)11-16-7-6-14(2,3)4/h8,10,15H,5-7,9,11H2,1-4H3.
What are the key properties of N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine?
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 66227074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).