3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol

C9H16N2O — CID 82280396

IUPAC3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
SMILESCNCCC(O)c1ccn(C)c1
InChIInChI=1S/C9H16N2O/c1-10-5-3-9(12)8-4-6-11(2)7-8/h4,6-7,9-10,12H,3,5H2,1-2H3
InChIKeyBMQVYYYIPYAUER-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.67
Rot. Bonds4

About 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol

3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol (PubChem CID 82280396) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
PubChem CID82280396
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
SMILESCNCCC(O)c1ccn(C)c1
InChIInChI=1S/C9H16N2O/c1-10-5-3-9(12)8-4-6-11(2)7-8/h4,6-7,9-10,12H,3,5H2,1-2H3
InChIKeyBMQVYYYIPYAUER-UHFFFAOYSA-N
XLogP0.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpyrrol-3-yl)propane-1,3-diol
CID 82280202
2-hydrazinyl-1-(1-methylpyrrol-3-yl)ethanol
CID 82280203
3-(methylamino)-1-(4-methylphenyl)propan-1-ol
CID 22925331
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10704935
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol
CID 67603481
2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
CID 82280921
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol?
The IUPAC name of 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol (CID 82280396) is 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol is CNCCC(O)c1ccn(C)c1.
What is the InChIKey of 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol?
The InChIKey is BMQVYYYIPYAUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-5-3-9(12)8-4-6-11(2)7-8/h4,6-7,9-10,12H,3,5H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol?
3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 82280396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).