1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one

C12H19NO2 — CID 79395471

IUPAC1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
SMILESCCN(CC(=O)C(C)C)Cc1ccco1
InChIInChI=1S/C12H19NO2/c1-4-13(9-12(14)10(2)3)8-11-6-5-7-15-11/h5-7,10H,4,8-9H2,1-3H3
InChIKeyXTSORLHYKYNFNZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds6

About 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one

1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one (PubChem CID 79395471) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
PubChem CID79395471
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
SMILESCCN(CC(=O)C(C)C)Cc1ccco1
InChIInChI=1S/C12H19NO2/c1-4-13(9-12(14)10(2)3)8-11-6-5-7-15-11/h5-7,10H,4,8-9H2,1-3H3
InChIKeyXTSORLHYKYNFNZ-UHFFFAOYSA-N
XLogP2.33
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
2-[ethyl(furan-2-ylmethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62037206
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one (CID 79395471) is 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one is CCN(CC(=O)C(C)C)Cc1ccco1.
What is the InChIKey of 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one?
The InChIKey is XTSORLHYKYNFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-13(9-12(14)10(2)3)8-11-6-5-7-15-11/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one?
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 79395471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).