3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one

C12H19NO2 — CID 79396289

IUPAC3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
SMILESCc1ccc(CN(C)CC(=O)C(C)C)o1
InChIInChI=1S/C12H19NO2/c1-9(2)12(14)8-13(4)7-11-6-5-10(3)15-11/h5-6,9H,7-8H2,1-4H3
InChIKeyIJJIUJALUFVRDO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.24
Rot. Bonds5

About 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one

3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one (PubChem CID 79396289) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
PubChem CID79396289
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
SMILESCc1ccc(CN(C)CC(=O)C(C)C)o1
InChIInChI=1S/C12H19NO2/c1-9(2)12(14)8-13(4)7-11-6-5-10(3)15-11/h5-6,9H,7-8H2,1-4H3
InChIKeyIJJIUJALUFVRDO-UHFFFAOYSA-N
XLogP2.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one
CID 107507272
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60650520
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 43526400
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one (CID 79396289) is 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one is Cc1ccc(CN(C)CC(=O)C(C)C)o1.
What is the InChIKey of 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one?
The InChIKey is IJJIUJALUFVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)12(14)8-13(4)7-11-6-5-10(3)15-11/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one?
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one is sourced from PubChem (CID 79396289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).