N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

C9H15NO — CID 65152835

IUPACN-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNCc1c(C)oc(C)c1C
InChIInChI=1S/C9H15NO/c1-6-7(2)11-8(3)9(6)5-10-4/h10H,5H2,1-4H3
InChIKeyRVZBQLBTFQUCJR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds2

About N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65152835) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65152835
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNCc1c(C)oc(C)c1C
InChIInChI=1S/C9H15NO/c1-6-7(2)11-8(3)9(6)5-10-4/h10H,5H2,1-4H3
InChIKeyRVZBQLBTFQUCJR-UHFFFAOYSA-N
XLogP1.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65152835) is N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNCc1c(C)oc(C)c1C.
What is the InChIKey of N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is RVZBQLBTFQUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-7(2)11-8(3)9(6)5-10-4/h10H,5H2,1-4H3.
What are the key properties of N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 153.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65152835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).