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2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine

C17H31NO3 — CID 115942894

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1oc(COCCOC(C)(C)C)cc1CNCC(C)C
InChIInChI=1S/C17H31NO3/c1-13(2)10-18-11-15-9-16(21-14(15)3)12-19-7-8-20-17(4,5)6/h9,13,18H,7-8,10-12H2,1-6H3
InChIKeyVVCDKTAOUMGYAU-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.67
Rot. Bonds9

About 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 115942894) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
PubChem CID115942894
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1oc(COCCOC(C)(C)C)cc1CNCC(C)C
InChIInChI=1S/C17H31NO3/c1-13(2)10-18-11-15-9-16(21-14(15)3)12-19-7-8-20-17(4,5)6/h9,13,18H,7-8,10-12H2,1-6H3
InChIKeyVVCDKTAOUMGYAU-UHFFFAOYSA-N
XLogP3.67
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.67
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 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine (CID 115942894) is 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine is Cc1oc(COCCOC(C)(C)C)cc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is VVCDKTAOUMGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)10-18-11-15-9-16(21-14(15)3)12-19-7-8-20-17(4,5)6/h9,13,18H,7-8,10-12H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 115942894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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