3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one

C13H21NO2 — CID 83173087

IUPAC3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one
SMILESCCN(CC)C(C)(C)C(=O)Cc1ccco1
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)13(3,4)12(15)10-11-8-7-9-16-11/h7-9H,5-6,10H2,1-4H3
InChIKeyBZZHGRYXKNRHHZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds6

About 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one

3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one (PubChem CID 83173087) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one
PubChem CID83173087
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one
SMILESCCN(CC)C(C)(C)C(=O)Cc1ccco1
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)13(3,4)12(15)10-11-8-7-9-16-11/h7-9H,5-6,10H2,1-4H3
InChIKeyBZZHGRYXKNRHHZ-UHFFFAOYSA-N
XLogP2.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62822299
1-(furan-2-yl)hexan-2-one
CID 3115857
3-(diethylamino)-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 79054218
3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine
CID 83175566
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one?
The IUPAC name of 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one (CID 83173087) is 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one.
What is the SMILES notation for 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one?
The canonical SMILES for 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one is CCN(CC)C(C)(C)C(=O)Cc1ccco1.
What is the InChIKey of 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one?
The InChIKey is BZZHGRYXKNRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(6-2)13(3,4)12(15)10-11-8-7-9-16-11/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one?
3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one is sourced from PubChem (CID 83173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).