1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine

C12H19NO — CID 130495140

IUPAC1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(c1cc(C)c(C)o1)C1CC1C
InChIInChI=1S/C12H19NO/c1-7-6-11(14-9(7)3)12(13-4)10-5-8(10)2/h6,8,10,12-13H,5H2,1-4H3
InChIKeyNGRLJMRGVYIWAV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.81
Rot. Bonds3

About 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine

1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 130495140) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID130495140
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(c1cc(C)c(C)o1)C1CC1C
InChIInChI=1S/C12H19NO/c1-7-6-11(14-9(7)3)12(13-4)10-5-8(10)2/h6,8,10,12-13H,5H2,1-4H3
InChIKeyNGRLJMRGVYIWAV-UHFFFAOYSA-N
XLogP2.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 130495140) is 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine is CNC(c1cc(C)c(C)o1)C1CC1C.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is NGRLJMRGVYIWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-6-11(14-9(7)3)12(13-4)10-5-8(10)2/h6,8,10,12-13H,5H2,1-4H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 130495140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).