[3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol

C11H22N2O2 — CID 115249007

IUPAC[3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CNCC2(CO)COC2)C1
InChIInChI=1S/C11H22N2O2/c1-13-3-2-10(5-13)4-12-6-11(7-14)8-15-9-11/h10,12,14H,2-9H2,1H3
InChIKeyXREGVRAWUYVDLC-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.46
Rot. Bonds5

About [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol

[3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249007) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249007
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CNCC2(CO)COC2)C1
InChIInChI=1S/C11H22N2O2/c1-13-3-2-10(5-13)4-12-6-11(7-14)8-15-9-11/h10,12,14H,2-9H2,1H3
InChIKeyXREGVRAWUYVDLC-UHFFFAOYSA-N
XLogP-0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-Ethylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 61668819
3-[(1-Methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 61668869
(S)-azetidin-3-yl(pyrrolidin-1-yl)methanol
CID 89952139
(2R)-2-(methylaminomethyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 143097068
Ethane;3-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 145349519
3-[(2-Methyl-3-pyrrolidin-1-ylpropyl)amino]propan-1-ol
CID 62990658
3-[3-(Methylaminomethyl)pyrrolidin-1-yl]propan-1-ol
CID 63267915
N-[(3-methyloxetan-3-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 64370377
2-methyl-N-[(3-methyloxetan-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 64372032
1-(1-ethylpyrrolidin-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 64373216
2-Methyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 65036455
1-[(3-Methyloxetan-3-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 80131562

Frequently Asked Questions

What is the IUPAC name of [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol (CID 115249007) is [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol is CN1CCC(CNCC2(CO)COC2)C1.
What is the InChIKey of [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is XREGVRAWUYVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-3-2-10(5-13)4-12-6-11(7-14)8-15-9-11/h10,12,14H,2-9H2,1H3.
What are the key properties of [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol?
[3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 214.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).