N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C16H25N3O — CID 105009083

IUPACN-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1c(C)oc(C)c1C
InChIInChI=1S/C16H25N3O/c1-6-17-14(10-15-18-8-9-19(15)7-2)16-11(3)12(4)20-13(16)5/h8-9,14,17H,6-7,10H2,1-5H3
InChIKeyDWVNYZVFRWFCDL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 105009083) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID105009083
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1nccn1CC)c1c(C)oc(C)c1C
InChIInChI=1S/C16H25N3O/c1-6-17-14(10-15-18-8-9-19(15)7-2)16-11(3)12(4)20-13(16)5/h8-9,14,17H,6-7,10H2,1-5H3
InChIKeyDWVNYZVFRWFCDL-UHFFFAOYSA-N
XLogP3.31
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009248
N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 105049697
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165931
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105165788
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 79751877
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009096
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105025235
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012426

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 105009083) is N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CCNC(Cc1nccn1CC)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is DWVNYZVFRWFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-17-14(10-15-18-8-9-19(15)7-2)16-11(3)12(4)20-13(16)5/h8-9,14,17H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 275.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 105009083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).