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

C12H24N2O2 — CID 115249111

IUPAC[3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CCNCC2(CO)COC2)C1
InChIInChI=1S/C12H24N2O2/c1-14-5-3-11(6-14)2-4-13-7-12(8-15)9-16-10-12/h11,13,15H,2-10H2,1H3
InChIKeyVMLOMIXZYRNMMQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.07
Rot. Bonds6

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

[3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol (PubChem CID 115249111) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol
PubChem CID115249111
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCN1CCC(CCNCC2(CO)COC2)C1
InChIInChI=1S/C12H24N2O2/c1-14-5-3-11(6-14)2-4-13-7-12(8-15)9-16-10-12/h11,13,15H,2-10H2,1H3
InChIKeyVMLOMIXZYRNMMQ-UHFFFAOYSA-N
XLogP-0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-Ethylpyrrolidin-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 81609848
2-Methyl-2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]propane-1,3-diol
CID 81609964
2-Methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]propane-1,3-diol
CID 81610221
3-[3-[2-(Methylamino)ethyl]pyrrolidin-1-yl]propan-1-ol
CID 84050912
2-[1-[(3-Methyloxetan-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 84081055
[3-[(2-Methylpentylamino)methyl]oxetan-3-yl]methanol
CID 109982008
[3-[(2-Ethylbutylamino)methyl]oxetan-3-yl]methanol
CID 112414696
3-[3-(2-Aminoethyl)pyrrolidin-1-yl]-2-methylpropan-1-ol
CID 114802674
2,2-Dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol
CID 115135505
3-(hydroxymethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]oxetane-3-carboxamide
CID 115185449
3-[2-(1-Methylpyrrolidin-3-yl)ethylamino]propan-1-ol
CID 115217110
3-[[2-Methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]propan-1-ol
CID 115217337

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol (CID 115249111) is [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol is CN1CCC(CCNCC2(CO)COC2)C1.
What is the InChIKey of [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is VMLOMIXZYRNMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14-5-3-11(6-14)2-4-13-7-12(8-15)9-16-10-12/h11,13,15H,2-10H2,1H3.
What are the key properties of [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol?
[3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 228.34 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).