4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine

C16H24N4 — CID 63180049

IUPAC4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCn2ccnc2C)cc1
InChIInChI=1S/C16H24N4/c1-4-19(5-2)16-8-6-15(7-9-16)18-11-13-20-12-10-17-14(20)3/h6-10,12,18H,4-5,11,13H2,1-3H3
InChIKeyDRKJFTHXAQLGGP-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.15
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine (PubChem CID 63180049) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine
PubChem CID63180049
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCn2ccnc2C)cc1
InChIInChI=1S/C16H24N4/c1-4-19(5-2)16-8-6-15(7-9-16)18-11-13-20-12-10-17-14(20)3/h6-10,12,18H,4-5,11,13H2,1-3H3
InChIKeyDRKJFTHXAQLGGP-UHFFFAOYSA-N
XLogP3.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine 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

4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
4-[2-(2-methylimidazol-1-yl)ethylamino]benzonitrile
CID 54961145
4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54964565
2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 114254602
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
3-chloro-2-fluoro-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54961505
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine (CID 63180049) is 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCCn2ccnc2C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine?
The InChIKey is DRKJFTHXAQLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-19(5-2)16-8-6-15(7-9-16)18-11-13-20-12-10-17-14(20)3/h6-10,12,18H,4-5,11,13H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 63180049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).