1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol

C8H18N2O — CID 163816000

IUPAC1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol
SMILESCCN1CCC(O)(CNC)C1
InChIInChI=1S/C8H18N2O/c1-3-10-5-4-8(11,7-10)6-9-2/h9,11H,3-7H2,1-2H3
InChIKeyNRJURKXMQSKRCZ-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds3

About 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol

1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol (PubChem CID 163816000) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol
PubChem CID163816000
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol
SMILESCCN1CCC(O)(CNC)C1
InChIInChI=1S/C8H18N2O/c1-3-10-5-4-8(11,7-10)6-9-2/h9,11H,3-7H2,1-2H3
InChIKeyNRJURKXMQSKRCZ-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylpyrrolidin-3-ol
CID 14578458
(3R)-3-Methylpyrrolidin-3-ol
CID 55288331
3-[(Dimethylamino)methyl]pyrrolidin-3-ol dihydrochloride
CID 126797033
3-((Dimethylamino)methyl)pyrrolidin-3-ol
CID 14578459
3-((4-Methyl-1,4-diazepan-1-yl)methyl)pyrrolidin-3-ol
CID 66509758
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
CID 103366498
1-[3-(Ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737798
3-[[2,2-Difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761041
3-[[Methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
CID 114761109
3-[[3-Fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761150
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
CID 114761177
3-[[2-Fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761269

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol?
The IUPAC name of 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol (CID 163816000) is 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol is CCN1CCC(O)(CNC)C1.
What is the InChIKey of 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol?
The InChIKey is NRJURKXMQSKRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10-5-4-8(11,7-10)6-9-2/h9,11H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol?
1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylaminomethyl)pyrrolidin-3-ol is sourced from PubChem (CID 163816000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).