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

C17H32N2O2 — CID 63691429

IUPACN-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN(CC)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C17H32N2O2/c1-7-19(9-10-20-8-2)13-15-11-16(21-14(15)3)12-18-17(4,5)6/h11,18H,7-10,12-13H2,1-6H3
InChIKeyWRTAJOLSMOMUKY-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.33
Rot. Bonds9

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

N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63691429) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63691429
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN(CC)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C17H32N2O2/c1-7-19(9-10-20-8-2)13-15-11-16(21-14(15)3)12-18-17(4,5)6/h11,18H,7-10,12-13H2,1-6H3
InChIKeyWRTAJOLSMOMUKY-UHFFFAOYSA-N
XLogP3.33
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 63691429) is N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is CCOCCN(CC)Cc1cc(CNC(C)(C)C)oc1C.
What is the InChIKey of N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WRTAJOLSMOMUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-19(9-10-20-8-2)13-15-11-16(21-14(15)3)12-18-17(4,5)6/h11,18H,7-10,12-13H2,1-6H3.
What are the key properties of N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63691429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).