N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C15H27NO3 — CID 55072922

IUPACN-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCOCc1cc(CNCC(C)C)oc1C
InChIInChI=1S/C15H27NO3/c1-5-17-6-7-18-11-14-8-15(19-13(14)4)10-16-9-12(2)3/h8,12,16H,5-7,9-11H2,1-4H3
InChIKeyDJSDNZZJNCZEMV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.89
Rot. Bonds10

About N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55072922) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID55072922
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCOCc1cc(CNCC(C)C)oc1C
InChIInChI=1S/C15H27NO3/c1-5-17-6-7-18-11-14-8-15(19-13(14)4)10-16-9-12(2)3/h8,12,16H,5-7,9-11H2,1-4H3
InChIKeyDJSDNZZJNCZEMV-UHFFFAOYSA-N
XLogP2.89
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.89
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-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 81068266
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 115942894
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
N-[[5-methyl-4-(3-methylbut-3-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 114470813
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 64600076
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 55072922) is N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is CCOCCOCc1cc(CNCC(C)C)oc1C.
What is the InChIKey of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DJSDNZZJNCZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-17-6-7-18-11-14-8-15(19-13(14)4)10-16-9-12(2)3/h8,12,16H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55072922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).