3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine

C30H51N7 — CID 140833532

IUPAC3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine
SMILESCCc1ncc(CCCN(CCCc2cnc(CC)n2CC)CCCc2cnc(CC)n2CC)n1CC
InChIInChI=1S/C30H51N7/c1-7-28-31-22-25(35(28)10-4)16-13-19-34(20-14-17-26-23-32-29(8-2)36(26)11-5)21-15-18-27-24-33-30(9-3)37(27)12-6/h22-24H,7-21H2,1-6H3
InChIKeyXCZDBPGRGIZAQW-UHFFFAOYSA-N
MW509.79 g/mol
LogP5.52
Rot. Bonds18

About 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine

3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine (PubChem CID 140833532) has the molecular formula C30H51N7 and a molecular weight of 509.79 g/mol. Its IUPAC name is 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine
PubChem CID140833532
Molecular FormulaC30H51N7
Molecular Weight509.79 g/mol
Exact Mass509.42
IUPAC Name3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine
SMILESCCc1ncc(CCCN(CCCc2cnc(CC)n2CC)CCCc2cnc(CC)n2CC)n1CC
InChIInChI=1S/C30H51N7/c1-7-28-31-22-25(35(28)10-4)16-13-19-34(20-14-17-26-23-32-29(8-2)36(26)11-5)21-15-18-27-24-33-30(9-3)37(27)12-6/h22-24H,7-21H2,1-6H3
InChIKeyXCZDBPGRGIZAQW-UHFFFAOYSA-N
XLogP5.52
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.79
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine (CID 140833532) is 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine is CCc1ncc(CCCN(CCCc2cnc(CC)n2CC)CCCc2cnc(CC)n2CC)n1CC.
What is the InChIKey of 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine?
The InChIKey is XCZDBPGRGIZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N7/c1-7-28-31-22-25(35(28)10-4)16-13-19-34(20-14-17-26-23-32-29(8-2)36(26)11-5)21-15-18-27-24-33-30(9-3)37(27)12-6/h22-24H,7-21H2,1-6H3.
What are the key properties of 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine?
3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine has a molecular weight of 509.79 g/mol, XLogP of 5.52, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethylimidazol-4-yl)-N,N-bis[3-(2,3-diethylimidazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 140833532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).