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

C13H24N2O — CID 65108522

IUPAC2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol
SMILESCCC(C)(O)CNCc1cc(C)n(C)c1C
InChIInChI=1S/C13H24N2O/c1-6-13(4,16)9-14-8-12-7-10(2)15(5)11(12)3/h7,14,16H,6,8-9H2,1-5H3
InChIKeyMZXPOHBUFSLZDT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.89
Rot. Bonds5

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

2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol (PubChem CID 65108522) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol
PubChem CID65108522
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol
SMILESCCC(C)(O)CNCc1cc(C)n(C)c1C
InChIInChI=1S/C13H24N2O/c1-6-13(4,16)9-14-8-12-7-10(2)15(5)11(12)3/h7,14,16H,6,8-9H2,1-5H3
InChIKeyMZXPOHBUFSLZDT-UHFFFAOYSA-N
XLogP1.89
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol (CID 65108522) is 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol is CCC(C)(O)CNCc1cc(C)n(C)c1C.
What is the InChIKey of 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol?
The InChIKey is MZXPOHBUFSLZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-13(4,16)9-14-8-12-7-10(2)15(5)11(12)3/h7,14,16H,6,8-9H2,1-5H3.
What are the key properties of 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol?
2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol has a molecular weight of 224.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1,2,5-trimethylpyrrol-3-yl)methylamino]butan-2-ol is sourced from PubChem (CID 65108522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).