[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol

C14H28N2O2 — CID 63745746

IUPAC[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
SMILESCN1CCC(CN(C)CC2(CO)CCCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-15-6-4-13(8-15)9-16(2)10-14(11-17)5-3-7-18-12-14/h13,17H,3-12H2,1-2H3
InChIKeyMUTVTGSIBIRISR-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.66
Rot. Bonds5

About [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol

[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol (PubChem CID 63745746) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
PubChem CID63745746
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
SMILESCN1CCC(CN(C)CC2(CO)CCCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-15-6-4-13(8-15)9-16(2)10-14(11-17)5-3-7-18-12-14/h13,17H,3-12H2,1-2H3
InChIKeyMUTVTGSIBIRISR-UHFFFAOYSA-N
XLogP0.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol (CID 63745746) is [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol is CN1CCC(CN(C)CC2(CO)CCCOC2)C1.
What is the InChIKey of [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol?
The InChIKey is MUTVTGSIBIRISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-15-6-4-13(8-15)9-16(2)10-14(11-17)5-3-7-18-12-14/h13,17H,3-12H2,1-2H3.
What are the key properties of [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol?
[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63745746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).