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

C16H30N2O2 — CID 81068266

IUPACN-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCN(C)Cc1cc(CNCC(C)C)oc1C
InChIInChI=1S/C16H30N2O2/c1-6-19-8-7-18(5)12-15-9-16(20-14(15)4)11-17-10-13(2)3/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyQJJXOQHMDIZPCY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.80
Rot. Bonds10

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

N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81068266) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID81068266
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCN(C)Cc1cc(CNCC(C)C)oc1C
InChIInChI=1S/C16H30N2O2/c1-6-19-8-7-18(5)12-15-9-16(20-14(15)4)11-17-10-13(2)3/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyQJJXOQHMDIZPCY-UHFFFAOYSA-N
XLogP2.80
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.80
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-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55072922
2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917
2-ethoxy-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylethanamine
CID 81068757
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-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62427807
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 63008846
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62421937
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-propan-2-yloxyethanamine
CID 81067291

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 81068266) is N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is CCOCCN(C)Cc1cc(CNCC(C)C)oc1C.
What is the InChIKey of N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QJJXOQHMDIZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-19-8-7-18(5)12-15-9-16(20-14(15)4)11-17-10-13(2)3/h9,13,17H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81068266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).