3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol

C15H30N2O2 — CID 55076561

IUPAC3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNCC1(CN2CCCC2CCCO)CCOCC1
InChIInChI=1S/C15H30N2O2/c1-16-12-15(6-10-19-11-7-15)13-17-8-2-4-14(17)5-3-9-18/h14,16,18H,2-13H2,1H3
InChIKeyZTDKZFPCHXBULD-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds7

About 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076561) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076561
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNCC1(CN2CCCC2CCCO)CCOCC1
InChIInChI=1S/C15H30N2O2/c1-16-12-15(6-10-19-11-7-15)13-17-8-2-4-14(17)5-3-9-18/h14,16,18H,2-13H2,1H3
InChIKeyZTDKZFPCHXBULD-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 55076561) is 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol is CNCC1(CN2CCCC2CCCO)CCOCC1.
What is the InChIKey of 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZTDKZFPCHXBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-16-12-15(6-10-19-11-7-15)13-17-8-2-4-14(17)5-3-9-18/h14,16,18H,2-13H2,1H3.
What are the key properties of 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).