N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine

C13H23NO3 — CID 106449861

IUPACN-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
SMILESCNCc1occc1COCCOCC(C)C
InChIInChI=1S/C13H23NO3/c1-11(2)9-15-6-7-16-10-12-4-5-17-13(12)8-14-3/h4-5,11,14H,6-10H2,1-3H3
InChIKeyUHBNECJZLIHDIW-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.19
Rot. Bonds9

About N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine

N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine (PubChem CID 106449861) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
PubChem CID106449861
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
SMILESCNCc1occc1COCCOCC(C)C
InChIInChI=1S/C13H23NO3/c1-11(2)9-15-6-7-16-10-12-4-5-17-13(12)8-14-3/h4-5,11,14H,6-10H2,1-3H3
InChIKeyUHBNECJZLIHDIW-UHFFFAOYSA-N
XLogP2.19
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.19
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-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine (CID 106449861) is N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine is CNCc1occc1COCCOCC(C)C.
What is the InChIKey of N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine?
The InChIKey is UHBNECJZLIHDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(2)9-15-6-7-16-10-12-4-5-17-13(12)8-14-3/h4-5,11,14H,6-10H2,1-3H3.
What are the key properties of N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine?
N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 106449861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).