3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline

C16H24N4 — CID 105149849

IUPAC3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
SMILESCCNC(c1cccc(N(C)C)c1)c1nccn1CC
InChIInChI=1S/C16H24N4/c1-5-17-15(16-18-10-11-20(16)6-2)13-8-7-9-14(12-13)19(3)4/h7-12,15,17H,5-6H2,1-4H3
InChIKeyXJENMDCAIWHHNH-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.67
Rot. Bonds6

About 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline

3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline (PubChem CID 105149849) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
PubChem CID105149849
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
SMILESCCNC(c1cccc(N(C)C)c1)c1nccn1CC
InChIInChI=1S/C16H24N4/c1-5-17-15(16-18-10-11-20(16)6-2)13-8-7-9-14(12-13)19(3)4/h7-12,15,17H,5-6H2,1-4H3
InChIKeyXJENMDCAIWHHNH-UHFFFAOYSA-N
XLogP2.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
CID 105092548
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 61314643
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
3-[ethylamino-(2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105093677
[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 105098831
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
[(1-ethylimidazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105308398
3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
CID 110460025
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411

Frequently Asked Questions

What is the IUPAC name of 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline (CID 105149849) is 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline is CCNC(c1cccc(N(C)C)c1)c1nccn1CC.
What is the InChIKey of 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline?
The InChIKey is XJENMDCAIWHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-17-15(16-18-10-11-20(16)6-2)13-8-7-9-14(12-13)19(3)4/h7-12,15,17H,5-6H2,1-4H3.
What are the key properties of 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline?
3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline has a molecular weight of 272.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105149849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).