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

C18H26N6 — CID 122393615

IUPAC2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2cccn2N(C)C)n1N(C)C
InChIInChI=1S/C18H26N6/c1-19(2)22-13-7-9-15(22)17-11-12-18(24(17)21(5)6)16-10-8-14-23(16)20(3)4/h7-14H,1-6H3
InChIKeyMZGRWSKTQVHOGW-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.02
Rot. Bonds5

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

2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (PubChem CID 122393615) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.

Molecular Properties

Compound Name2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
PubChem CID122393615
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1ccc(-c2cccn2N(C)C)n1N(C)C
InChIInChI=1S/C18H26N6/c1-19(2)22-13-7-9-15(22)17-11-12-18(24(17)21(5)6)16-10-8-14-23(16)20(3)4/h7-14H,1-6H3
InChIKeyMZGRWSKTQVHOGW-UHFFFAOYSA-N
XLogP2.02
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 6424797
1-Methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
CID 155565853
1-Phenyl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyrazole
CID 53602699
2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
CID 56781090
(3aS,6aR)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459159
b-Bilene
CID 44263817
cis-1,1'-Bis(pyridin-2-ylmethyl)-2,2'-bipyrrolidine
CID 44817507
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine
CID 134795374
1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-
CID 10889583
2,6-Bis(1-vinyl-2-pyrrolyl)pyridine
CID 11529045
2-(1-methyl-1H-pyrazol-3-yl)pyridine
CID 12106403
N-methyl-1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 134792970

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The IUPAC name of 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (CID 122393615) is 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.
What is the SMILES notation for 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The canonical SMILES for 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is CN(C)n1cccc1-c1ccc(-c2cccn2N(C)C)n1N(C)C.
What is the InChIKey of 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The InChIKey is MZGRWSKTQVHOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-19(2)22-13-7-9-15(22)17-11-12-18(24(17)21(5)6)16-10-8-14-23(16)20(3)4/h7-14H,1-6H3.
What are the key properties of 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine has a molecular weight of 326.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 122393615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).