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

C12H18N4 — CID 122393614

IUPAC2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1cccn1N(C)C
InChIInChI=1S/C12H18N4/c1-13(2)15-9-5-7-11(15)12-8-6-10-16(12)14(3)4/h5-10H,1-4H3
InChIKeyGUYWXDAOOZCRPT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds3

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

2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (PubChem CID 122393614) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.

Molecular Properties

Compound Name2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
PubChem CID122393614
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
SMILESCN(C)n1cccc1-c1cccn1N(C)C
InChIInChI=1S/C12H18N4/c1-13(2)15-9-5-7-11(15)12-8-6-10-16(12)14(3)4/h5-10H,1-4H3
InChIKeyGUYWXDAOOZCRPT-UHFFFAOYSA-N
XLogP1.35
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 212128
Dipyrromethane
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2-(1H-pyrrol-1-ylmethyl)pyridine
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4-Pyridin-2-ylselenadiazole
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N-butyl-N-pyrrol-1-ylpyridin-4-amine
CID 10036231
N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine
CID 10798135
1H-Pyrrole-2-methanamine, N,N,1-trimethyl-
CID 92023
2-(1-methyl-1H-pyrrol-2-yl)pyridine
CID 3013899
1-methyl-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 6424797
N-((1-Methyl-1H-pyrrol-2-YL)methylene)-4-phenyl-1-piperazinamine
CID 5727650
2-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 13847709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The IUPAC name of 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine (CID 122393614) is 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine.
What is the SMILES notation for 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The canonical SMILES for 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is CN(C)n1cccc1-c1cccn1N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
The InChIKey is GUYWXDAOOZCRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-13(2)15-9-5-7-11(15)12-8-6-10-16(12)14(3)4/h5-10H,1-4H3.
What are the key properties of 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine?
2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 122393614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).