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

C30H42N10 — CID 122393616

IUPAC2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2ccc(-c3ccc(-c4cccn4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C
InChIInChI=1S/C30H42N10/c1-31(2)36-21-11-13-23(36)25-15-17-27(38(25)33(5)6)29-19-20-30(40(29)35(9)10)28-18-16-26(39(28)34(7)8)24-14-12-22-37(24)32(3)4/h11-22H,1-10H3
InChIKeyRHDATGBKYIFDLZ-UHFFFAOYSA-N
MW542.74 g/mol
LogP3.35
Rot. Bonds9

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

2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (PubChem CID 122393616) has the molecular formula C30H42N10 and a molecular weight of 542.74 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]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)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
PubChem CID122393616
Molecular FormulaC30H42N10
Molecular Weight542.74 g/mol
Exact Mass542.36
IUPAC Name2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2ccc(-c3ccc(-c4cccn4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C
InChIInChI=1S/C30H42N10/c1-31(2)36-21-11-13-23(36)25-15-17-27(38(25)33(5)6)29-19-20-30(40(29)35(9)10)28-18-16-26(39(28)34(7)8)24-14-12-22-37(24)32(3)4/h11-22H,1-10H3
InChIKeyRHDATGBKYIFDLZ-UHFFFAOYSA-N
XLogP3.35
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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
5,10,15,20-Tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 53980392
2,2'-Bipyrrolyl-pyrromethene
CID 129829513
tris(manganese(2+));N-methyl-1-pyrrol-1-id-2-ylmethanimine;1-(5-methylpyrrol-1-id-2-yl)-N-propan-2-ylmethanimine;N-propan-2-yl-1-pyrrol-1-id-2-ylethanimine;N-propan-2-yl-1-[5-(trifluoromethyl)pyrrol-1-id-2-yl]methanimine;1-pyrrol-1-id-2-yl-N-(trifluoromethyl)methanimine;2,2,2-trifluoro-N-propan-2-yl-1-pyrrol-1-id-2-ylethanimine
CID 159230764
5,10,15,20-Tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
CID 91428846
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
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 102479602
2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393614
2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393615
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393617
benzene;bis(N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine);zirconium(4+)
CID 139063490
3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole
CID 139179922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]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)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (CID 122393616) is 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]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)-5-[1-(dimethylamino)pyrrol-2-yl]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)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is CN(C)n1cccc1-c1ccc(-c2ccc(-c3ccc(-c4cccn4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The InChIKey is RHDATGBKYIFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N10/c1-31(2)36-21-11-13-23(36)25-15-17-27(38(25)33(5)6)29-19-20-30(40(29)35(9)10)28-18-16-26(39(28)34(7)8)24-14-12-22-37(24)32(3)4/h11-22H,1-10H3.
What are the key properties of 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine has a molecular weight of 542.74 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 122393616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).