(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine

C9H16N2 — CID 55275919

IUPAC(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine
SMILESCc1cc([C@@H](C)N)c(C)n1C
InChIInChI=1S/C9H16N2/c1-6-5-9(7(2)10)8(3)11(6)4/h5,7H,10H2,1-4H3/t7-/m1/s1
InChIKeyLEPQIHYOFFBGNG-SSDOTTSWSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds1

About (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine

(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine (PubChem CID 55275919) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine
PubChem CID55275919
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine
SMILESCc1cc([C@@H](C)N)c(C)n1C
InChIInChI=1S/C9H16N2/c1-6-5-9(7(2)10)8(3)11(6)4/h5,7H,10H2,1-4H3/t7-/m1/s1
InChIKeyLEPQIHYOFFBGNG-SSDOTTSWSA-N
XLogP1.66
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
1H-Pyrrole, 2,3,5-trimethyl-
CID 16620
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1,5-dimethyl-1H-pyrrol-2-yl)methanamine
CID 737232
6-Methylnicotine, (A+-)-
CID 5020711
2,5-Dimethyl-1-phenethyl-1H-pyrrole
CID 2442134
1H-Pyrrole, 1-ethyl-2,5-dimethyl-
CID 78741
N-((4-((dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine
CID 229022
1-Butyl-2,5-dimethyl-1H-pyrrole
CID 527528
1-methyl-1H-pyrrole-2-ethylamine
CID 565058
Nicotine, 6-methyl-
CID 25768196
2-Methyl-3-(1-methylpyrrolidin-2-yl)pyridine
CID 4456138

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine?
The IUPAC name of (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine (CID 55275919) is (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine is Cc1cc([C@@H](C)N)c(C)n1C.
What is the InChIKey of (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine?
The InChIKey is LEPQIHYOFFBGNG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-5-9(7(2)10)8(3)11(6)4/h5,7H,10H2,1-4H3/t7-/m1/s1.
What are the key properties of (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine?
(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 55275919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).