1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

C12H19NO2 — CID 115876377

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCc1cc(CNCC2(C)COC2)c(C)o1
InChIInChI=1S/C12H19NO2/c1-9-4-11(10(2)15-9)5-13-6-12(3)7-14-8-12/h4,13H,5-8H2,1-3H3
InChIKeySJMZOSOTGJPMMB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.02
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (PubChem CID 115876377) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
PubChem CID115876377
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCc1cc(CNCC2(C)COC2)c(C)o1
InChIInChI=1S/C12H19NO2/c1-9-4-11(10(2)15-9)5-13-6-12(3)7-14-8-12/h4,13H,5-8H2,1-3H3
InChIKeySJMZOSOTGJPMMB-UHFFFAOYSA-N
XLogP2.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (CID 115876377) is 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is Cc1cc(CNCC2(C)COC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is SJMZOSOTGJPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-4-11(10(2)15-9)5-13-6-12(3)7-14-8-12/h4,13H,5-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 115876377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).