[3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol

C13H26N2O2 — CID 115249143

IUPAC[3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CCN(C)CC2(CO)COC2)C1
InChIInChI=1S/C13H26N2O2/c1-14-5-3-12(7-14)4-6-15(2)8-13(9-16)10-17-11-13/h12,16H,3-11H2,1-2H3
InChIKeyIHCRTWMYWRXPQF-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.27
Rot. Bonds6

About [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol

[3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 115249143) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol
PubChem CID115249143
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CCN(C)CC2(CO)COC2)C1
InChIInChI=1S/C13H26N2O2/c1-14-5-3-12(7-14)4-6-15(2)8-13(9-16)10-17-11-13/h12,16H,3-11H2,1-2H3
InChIKeyIHCRTWMYWRXPQF-UHFFFAOYSA-N
XLogP0.27
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
(3-(Pyrrolidin-1-ylmethyl)oxetan-3-YL)methanol
CID 57368610
2-[(3,3-Diethylpyrrolidin-1-yl)methyl]-2-methylpropane-1,3-diol
CID 81604996
2-Methyl-2-[(3-methylpyrrolidin-1-yl)methyl]propane-1,3-diol
CID 81609647
2-Methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]propane-1,3-diol
CID 81609893
2-[(3-Tert-butylpyrrolidin-1-yl)methyl]-2-methylpropane-1,3-diol
CID 104489543
2-Methyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]propane-1,3-diol
CID 104489547
2-[(3-Ethylpyrrolidin-1-yl)methyl]-2-methylpropane-1,3-diol
CID 104489551
2-Methyl-2-[(3-propylpyrrolidin-1-yl)methyl]propane-1,3-diol
CID 104489556
[3-[[Methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxetan-3-yl]methanol
CID 109832498
1-[1-[[3-(Hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 109997524
[3-[[Cyclopentylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 112228953

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol (CID 115249143) is [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol is CN1CCC(CCN(C)CC2(CO)COC2)C1.
What is the InChIKey of [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is IHCRTWMYWRXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-5-3-12(7-14)4-6-15(2)8-13(9-16)10-17-11-13/h12,16H,3-11H2,1-2H3.
What are the key properties of [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol?
[3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 242.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).