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

C24H39N7 — CID 140833488

IUPAC3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine
SMILESCc1ncc(CCCN(CCCc2cnc(C)n2C)CCCc2cnc(C)n2C)n1C
InChIInChI=1S/C24H39N7/c1-19-25-16-22(28(19)4)10-7-13-31(14-8-11-23-17-26-20(2)29(23)5)15-9-12-24-18-27-21(3)30(24)6/h16-18H,7-15H2,1-6H3
InChIKeyCRQUTMJLBAHDDL-UHFFFAOYSA-N
MW425.63 g/mol
LogP3.31
Rot. Bonds12

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

3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine (PubChem CID 140833488) has the molecular formula C24H39N7 and a molecular weight of 425.63 g/mol. Its IUPAC name is 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine
PubChem CID140833488
Molecular FormulaC24H39N7
Molecular Weight425.63 g/mol
Exact Mass425.33
IUPAC Name3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine
SMILESCc1ncc(CCCN(CCCc2cnc(C)n2C)CCCc2cnc(C)n2C)n1C
InChIInChI=1S/C24H39N7/c1-19-25-16-22(28(19)4)10-7-13-31(14-8-11-23-17-26-20(2)29(23)5)15-9-12-24-18-27-21(3)30(24)6/h16-18H,7-15H2,1-6H3
InChIKeyCRQUTMJLBAHDDL-UHFFFAOYSA-N
XLogP3.31
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.63
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine (CID 140833488) is 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine is Cc1ncc(CCCN(CCCc2cnc(C)n2C)CCCc2cnc(C)n2C)n1C.
What is the InChIKey of 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine?
The InChIKey is CRQUTMJLBAHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N7/c1-19-25-16-22(28(19)4)10-7-13-31(14-8-11-23-17-26-20(2)29(23)5)15-9-12-24-18-27-21(3)30(24)6/h16-18H,7-15H2,1-6H3.
What are the key properties of 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine?
3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine has a molecular weight of 425.63 g/mol, XLogP of 3.31, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylimidazol-4-yl)-N,N-bis[3-(2,3-dimethylimidazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 140833488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).