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'}

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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).