4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine

C17H26N4 — CID 106571675

IUPAC4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
SMILESCCCn1cc(C)nc1Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H26N4/c1-5-12-21-13-14(4)18-17(21)19-15-8-10-16(11-9-15)20(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyPXISXFSADXFOBS-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.19
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine (PubChem CID 106571675) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
PubChem CID106571675
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
SMILESCCCn1cc(C)nc1Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H26N4/c1-5-12-21-13-14(4)18-17(21)19-15-8-10-16(11-9-15)20(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyPXISXFSADXFOBS-UHFFFAOYSA-N
XLogP4.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.19
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-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine (CID 106571675) is 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine is CCCn1cc(C)nc1Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine?
The InChIKey is PXISXFSADXFOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-12-21-13-14(4)18-17(21)19-15-8-10-16(11-9-15)20(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3,(H,18,19).
What are the key properties of 4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine has a molecular weight of 286.42 g/mol, XLogP of 4.19, 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-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 106571675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).