4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine

C11H20N2O2 — CID 62523205

IUPAC4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CNCc1ccc(C)o1
InChIInChI=1S/C11H20N2O2/c1-9-3-4-11(15-9)8-13-7-10(12)5-6-14-2/h3-4,10,13H,5-8,12H2,1-2H3
InChIKeyZWLFJHOBEGFLQM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.04
Rot. Bonds7

About 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine

4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine (PubChem CID 62523205) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
PubChem CID62523205
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CNCc1ccc(C)o1
InChIInChI=1S/C11H20N2O2/c1-9-3-4-11(15-9)8-13-7-10(12)5-6-14-2/h3-4,10,13H,5-8,12H2,1-2H3
InChIKeyZWLFJHOBEGFLQM-UHFFFAOYSA-N
XLogP1.04
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine (CID 62523205) is 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine is COCCC(N)CNCc1ccc(C)o1.
What is the InChIKey of 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
The InChIKey is ZWLFJHOBEGFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-3-4-11(15-9)8-13-7-10(12)5-6-14-2/h3-4,10,13H,5-8,12H2,1-2H3.
What are the key properties of 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine?
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine has a molecular weight of 212.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 62523205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).