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

C10H18N2O — CID 4719017

IUPAC2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccn1C
InChIInChI=1S/C10H18N2O/c1-3-9(8-13)11-7-10-5-4-6-12(10)2/h4-6,9,11,13H,3,7-8H2,1-2H3
InChIKeyFFCNPHFRGAZNGS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.89
Rot. Bonds5

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

2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol (PubChem CID 4719017) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
PubChem CID4719017
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccn1C
InChIInChI=1S/C10H18N2O/c1-3-9(8-13)11-7-10-5-4-6-12(10)2/h4-6,9,11,13H,3,7-8H2,1-2H3
InChIKeyFFCNPHFRGAZNGS-UHFFFAOYSA-N
XLogP0.89
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol (CID 4719017) is 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol is CCC(CO)NCc1cccn1C.
What is the InChIKey of 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
The InChIKey is FFCNPHFRGAZNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-9(8-13)11-7-10-5-4-6-12(10)2/h4-6,9,11,13H,3,7-8H2,1-2H3.
What are the key properties of 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol?
2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 4719017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).