1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol

C11H20N2O — CID 66398623

IUPAC1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
SMILESCCCn1ccc(CNCC(C)O)c1
InChIInChI=1S/C11H20N2O/c1-3-5-13-6-4-11(9-13)8-12-7-10(2)14/h4,6,9-10,12,14H,3,5,7-8H2,1-2H3
InChIKeySBQCVKXLWADDKL-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.37
Rot. Bonds6

About 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol

1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol (PubChem CID 66398623) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
PubChem CID66398623
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
SMILESCCCn1ccc(CNCC(C)O)c1
InChIInChI=1S/C11H20N2O/c1-3-5-13-6-4-11(9-13)8-12-7-10(2)14/h4,6,9-10,12,14H,3,5,7-8H2,1-2H3
InChIKeySBQCVKXLWADDKL-UHFFFAOYSA-N
XLogP1.37
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 66399253
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
CID 103527583
N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527684
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol (CID 66398623) is 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol is CCCn1ccc(CNCC(C)O)c1.
What is the InChIKey of 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol?
The InChIKey is SBQCVKXLWADDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-13-6-4-11(9-13)8-12-7-10(2)14/h4,6,9-10,12,14H,3,5,7-8H2,1-2H3.
What are the key properties of 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol?
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 66398623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).