3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol

C8H18N2O — CID 84731456

IUPAC3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol
SMILESCN(C)CC1(O)CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-9(2)6-8(11)4-5-10(3)7-8/h11H,4-7H2,1-3H3
InChIKeyJROQCXYNRCUBHI-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.39
Rot. Bonds2

About 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol

3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 84731456) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol
PubChem CID84731456
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol
SMILESCN(C)CC1(O)CCN(C)C1
InChIInChI=1S/C8H18N2O/c1-9(2)6-8(11)4-5-10(3)7-8/h11H,4-7H2,1-3H3
InChIKeyJROQCXYNRCUBHI-UHFFFAOYSA-N
XLogP-0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-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

2-Methyl-4-(pyrrolidin-1-yl)butan-2-ol
CID 79359808
3-((Dimethylamino)methyl)pyrrolidin-3-ol
CID 14578459
3-(Fluoromethyl)-1-methylpyrrolidin-3-ol
CID 126759752
Ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 164869971
3-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
CID 103358047
1-(2-Fluoroethyl)-3-methylpyrrolidin-3-ol
CID 103760851
1-(3-Fluoropropyl)-3-methylpyrrolidin-3-ol
CID 103784633
3-[[3-Fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761150
3-[[2-Fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761269
1-(3-Fluoro-3-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 130675860
1-(3-Fluoro-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 130735372
1-[(1-Fluorocyclopropyl)methyl]-3-methylpyrrolidin-3-ol
CID 131018558

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol (CID 84731456) is 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol is CN(C)CC1(O)CCN(C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is JROQCXYNRCUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-9(2)6-8(11)4-5-10(3)7-8/h11H,4-7H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol?
3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 84731456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).