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

C10H18N2O — CID 66399627

IUPAC2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCC(CO)CNCc1ccn(C)c1
InChIInChI=1S/C10H18N2O/c1-9(8-13)5-11-6-10-3-4-12(2)7-10/h3-4,7,9,11,13H,5-6,8H2,1-2H3
InChIKeyDRNQJVNXKLDHHU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.74
Rot. Bonds5

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

2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol (PubChem CID 66399627) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
PubChem CID66399627
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
SMILESCC(CO)CNCc1ccn(C)c1
InChIInChI=1S/C10H18N2O/c1-9(8-13)5-11-6-10-3-4-12(2)7-10/h3-4,7,9,11,13H,5-6,8H2,1-2H3
InChIKeyDRNQJVNXKLDHHU-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 102610013
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
CID 103527583
2-methyl-3-[(4-trimethylsilylphenyl)methylamino]propan-1-ol
CID 103437865
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
CID 66399137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol (CID 66399627) is 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol is CC(CO)CNCc1ccn(C)c1.
What is the InChIKey of 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
The InChIKey is DRNQJVNXKLDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(8-13)5-11-6-10-3-4-12(2)7-10/h3-4,7,9,11,13H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol?
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.74, 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-methylpyrrol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 66399627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).