2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine

C24H36N4 — CID 3808400

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine
SMILESCc1ccc(C)n1CCN(CCn1c(C)ccc1C)CCn1c(C)ccc1C
InChIInChI=1S/C24H36N4/c1-19-7-8-20(2)26(19)16-13-25(14-17-27-21(3)9-10-22(27)4)15-18-28-23(5)11-12-24(28)6/h7-12H,13-18H2,1-6H3
InChIKeyDGFNCCZKVDMMKE-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.64
Rot. Bonds9

About 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine

2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine (PubChem CID 3808400) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine
PubChem CID3808400
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine
SMILESCc1ccc(C)n1CCN(CCn1c(C)ccc1C)CCn1c(C)ccc1C
InChIInChI=1S/C24H36N4/c1-19-7-8-20(2)26(19)16-13-25(14-17-27-21(3)9-10-22(27)4)15-18-28-23(5)11-12-24(28)6/h7-12H,13-18H2,1-6H3
InChIKeyDGFNCCZKVDMMKE-UHFFFAOYSA-N
XLogP4.64
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine (CID 3808400) is 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine is Cc1ccc(C)n1CCN(CCn1c(C)ccc1C)CCn1c(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine?
The InChIKey is DGFNCCZKVDMMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4/c1-19-7-8-20(2)26(19)16-13-25(14-17-27-21(3)9-10-22(27)4)15-18-28-23(5)11-12-24(28)6/h7-12H,13-18H2,1-6H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine?
2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine has a molecular weight of 380.58 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N,N-bis[2-(2,5-dimethylpyrrol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 3808400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).