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

C12H21NO — CID 114982292

IUPACN-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCCC(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C12H21NO/c1-6-7-11(13-5)12-8(2)9(3)14-10(12)4/h11,13H,6-7H2,1-5H3
InChIKeyYDIVAGBXVOKMSP-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.27
Rot. Bonds4

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

N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (PubChem CID 114982292) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
PubChem CID114982292
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCCC(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C12H21NO/c1-6-7-11(13-5)12-8(2)9(3)14-10(12)4/h11,13H,6-7H2,1-5H3
InChIKeyYDIVAGBXVOKMSP-UHFFFAOYSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4,5-trimethylfuran-3-yl)butylhydrazine
CID 105282209
N,2-dimethyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-amine
CID 107894126
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866
N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine
CID 115835826
2-(4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153051
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105002740
4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 104986249
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 104994734
N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115865157
1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine
CID 105307830
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115840518
1-(4,6-dimethyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65439436

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The IUPAC name of N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (CID 114982292) is N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is CCCC(NC)c1c(C)oc(C)c1C.
What is the InChIKey of N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The InChIKey is YDIVAGBXVOKMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-11(13-5)12-8(2)9(3)14-10(12)4/h11,13H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 3.27, 4 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)butan-1-amine is sourced from PubChem (CID 114982292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).