2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol

C12H22N2O — CID 62517107

IUPAC2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCc1cccn1C
InChIInChI=1S/C12H22N2O/c1-4-12(5-2,10-15)13-9-11-7-6-8-14(11)3/h6-8,13,15H,4-5,9-10H2,1-3H3
InChIKeyYZOUOTQESUDVAV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.67
Rot. Bonds6

About 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol

2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol (PubChem CID 62517107) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
PubChem CID62517107
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCc1cccn1C
InChIInChI=1S/C12H22N2O/c1-4-12(5-2,10-15)13-9-11-7-6-8-14(11)3/h6-8,13,15H,4-5,9-10H2,1-3H3
InChIKeyYZOUOTQESUDVAV-UHFFFAOYSA-N
XLogP1.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol (CID 62517107) is 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol is CCC(CC)(CO)NCc1cccn1C.
What is the InChIKey of 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
The InChIKey is YZOUOTQESUDVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(5-2,10-15)13-9-11-7-6-8-14(11)3/h6-8,13,15H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 62517107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).