3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one

C12H19NO2 — CID 116923562

IUPAC3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one
SMILESCNCC(C(=O)c1ccc(C)o1)C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10(7-13-4)12(14)11-6-5-9(3)15-11/h5-6,8,10,13H,7H2,1-4H3
InChIKeyFJNASZGPGMJKCZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.26
Rot. Bonds5

About 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one

3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one (PubChem CID 116923562) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one
PubChem CID116923562
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one
SMILESCNCC(C(=O)c1ccc(C)o1)C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10(7-13-4)12(14)11-6-5-9(3)15-11/h5-6,8,10,13H,7H2,1-4H3
InChIKeyFJNASZGPGMJKCZ-UHFFFAOYSA-N
XLogP2.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
2,2-dichloro-1-(5-methylfuran-2-yl)ethanone
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N-(1-hydroxy-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 79252093
3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
CID 103309400
N-[(2R)-2-(dimethylamino)propyl]-5-methylfuran-2-carboxamide
CID 94096526
N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 65191012
3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
CID 116923574
1-(5-methylfuran-2-yl)-2,2-diphenylethanone
CID 125472505
propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
3-methyl-1-(5-methylfuran-2-yl)pentan-1-one
CID 114874036
N-(3-bromobutyl)-5-methylfuran-2-carboxamide
CID 114312376
1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 79408703

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one (CID 116923562) is 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one is CNCC(C(=O)c1ccc(C)o1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one?
The InChIKey is FJNASZGPGMJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10(7-13-4)12(14)11-6-5-9(3)15-11/h5-6,8,10,13H,7H2,1-4H3.
What are the key properties of 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one?
3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-1-(5-methylfuran-2-yl)butan-1-one is sourced from PubChem (CID 116923562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).