3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol

C12H24N2O2 — CID 63211366

IUPAC3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
SMILESCN(CCN1CCCC1)C1COCCC1O
InChIInChI=1S/C12H24N2O2/c1-13(7-8-14-5-2-3-6-14)11-10-16-9-4-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyXLFZFURINZSUAA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.16
Rot. Bonds4

About 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol

3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol (PubChem CID 63211366) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol.

Molecular Properties

Compound Name3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
PubChem CID63211366
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
SMILESCN(CCN1CCCC1)C1COCCC1O
InChIInChI=1S/C12H24N2O2/c1-13(7-8-14-5-2-3-6-14)11-10-16-9-4-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyXLFZFURINZSUAA-UHFFFAOYSA-N
XLogP0.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol?
The IUPAC name of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol (CID 63211366) is 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol.
What is the SMILES notation for 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol?
The canonical SMILES for 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol is CN(CCN1CCCC1)C1COCCC1O.
What is the InChIKey of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol?
The InChIKey is XLFZFURINZSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13(7-8-14-5-2-3-6-14)11-10-16-9-4-12(11)15/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol?
3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol is sourced from PubChem (CID 63211366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).