[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol

C13H28N2O — CID 112629064

IUPAC[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(CC)(CNC)CN1CCC(CO)C1
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,10-14-3)11-15-7-6-12(8-15)9-16/h12,14,16H,4-11H2,1-3H3
InChIKeyGFFBYMQEMXLPKS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.33
Rot. Bonds7

About [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol

[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol (PubChem CID 112629064) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
PubChem CID112629064
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(CC)(CNC)CN1CCC(CO)C1
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,10-14-3)11-15-7-6-12(8-15)9-16/h12,14,16H,4-11H2,1-3H3
InChIKeyGFFBYMQEMXLPKS-UHFFFAOYSA-N
XLogP1.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol
CID 112629447
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 104567928
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62263702
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62257771
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026

Frequently Asked Questions

What is the IUPAC name of [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol (CID 112629064) is [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol is CCC(CC)(CNC)CN1CCC(CO)C1.
What is the InChIKey of [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol?
The InChIKey is GFFBYMQEMXLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(5-2,10-14-3)11-15-7-6-12(8-15)9-16/h12,14,16H,4-11H2,1-3H3.
What are the key properties of [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol?
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol has a molecular weight of 228.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).