2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol

C12H22N2O — CID 65037125

IUPAC2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCc1cc(CNCC(C)CO)c(C)n1C
InChIInChI=1S/C12H22N2O/c1-9(8-15)6-13-7-12-5-10(2)14(4)11(12)3/h5,9,13,15H,6-8H2,1-4H3
InChIKeyNJMRJRNALZPOOO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.36
Rot. Bonds5

About 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol

2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol (PubChem CID 65037125) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol
PubChem CID65037125
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCc1cc(CNCC(C)CO)c(C)n1C
InChIInChI=1S/C12H22N2O/c1-9(8-15)6-13-7-12-5-10(2)14(4)11(12)3/h5,9,13,15H,6-8H2,1-4H3
InChIKeyNJMRJRNALZPOOO-UHFFFAOYSA-N
XLogP1.36
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentan-1-amine
CID 62473871
2-[[(3-hydroxy-2-methylpropyl)amino]methyl]-4,5-dimethylphenol
CID 111466490
4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol
CID 106348657
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62474594
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]butan-1-amine
CID 50850663
N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 82708999
2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
CID 63182352
2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol
CID 65108522
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-1-amine
CID 113337043
1-N,1-N,4-trimethyl-2-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,2-diamine
CID 62472955
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 65036447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol (CID 65037125) is 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol is Cc1cc(CNCC(C)CO)c(C)n1C.
What is the InChIKey of 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol?
The InChIKey is NJMRJRNALZPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(8-15)6-13-7-12-5-10(2)14(4)11(12)3/h5,9,13,15H,6-8H2,1-4H3.
What are the key properties of 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol?
2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 65037125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).