2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine

C24H34N8 — CID 101375652

IUPAC2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2ccc(-c3cccn3N(C)C)n2N(C)C)n1N(C)C
InChIInChI=1S/C24H34N8/c1-25(2)29-17-9-11-19(29)21-13-15-23(31(21)27(5)6)24-16-14-22(32(24)28(7)8)20-12-10-18-30(20)26(3)4/h9-18H,1-8H3
InChIKeyGXDAUWIKIBQWRJ-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.68
Rot. Bonds7

About 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine

2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (PubChem CID 101375652) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.

Molecular Properties

Compound Name2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
PubChem CID101375652
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC Name2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2ccc(-c3cccn3N(C)C)n2N(C)C)n1N(C)C
InChIInChI=1S/C24H34N8/c1-25(2)29-17-9-11-19(29)21-13-15-23(31(21)27(5)6)24-16-14-22(32(24)28(7)8)20-12-10-18-30(20)26(3)4/h9-18H,1-8H3
InChIKeyGXDAUWIKIBQWRJ-UHFFFAOYSA-N
XLogP2.68
TPSA32.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-Methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
CID 155565853
Bilane
CID 9548777
Tetrapyrrylethylene
CID 11011667
Tris(3-pyridin-2-ylpyrazol-1-yl)borane
CID 70902506
2,6-Bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 102040927
2,2'-Bipyrrolyl-pyrromethene
CID 129829513
CID 15520595
CID 15520595
2,6-Bis(1-tetradecylpyrazol-3-yl)pyridine
CID 91452192
1-Methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole
CID 91989747
2,6-Bis(1-butyltriazol-4-yl)pyridine
CID 102382540
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 102479602
2,6-Bis(1-octyl-1h-1,2,3-triazol-4-yl)pyridine
CID 102500303

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The IUPAC name of 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (CID 101375652) is 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.
What is the SMILES notation for 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The canonical SMILES for 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is CN(C)n1cccc1-c1ccc(-c2ccc(-c3cccn3N(C)C)n2N(C)C)n1N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The InChIKey is GXDAUWIKIBQWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c1-25(2)29-17-9-11-19(29)21-13-15-23(31(21)27(5)6)24-16-14-22(32(24)28(7)8)20-12-10-18-30(20)26(3)4/h9-18H,1-8H3.
What are the key properties of 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine has a molecular weight of 434.59 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 101375652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).