N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine

C12H18N2O2 — CID 62451204

IUPACN-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine
SMILESCNCC1CCC(COc2cccnc2)O1
InChIInChI=1S/C12H18N2O2/c1-13-7-11-4-5-12(16-11)9-15-10-3-2-6-14-8-10/h2-3,6,8,11-13H,4-5,7,9H2,1H3
InChIKeySSFPDMCGHDEEDJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.23
Rot. Bonds5

About N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine

N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine (PubChem CID 62451204) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine
PubChem CID62451204
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine
SMILESCNCC1CCC(COc2cccnc2)O1
InChIInChI=1S/C12H18N2O2/c1-13-7-11-4-5-12(16-11)9-15-10-3-2-6-14-8-10/h2-3,6,8,11-13H,4-5,7,9H2,1H3
InChIKeySSFPDMCGHDEEDJ-UHFFFAOYSA-N
XLogP1.23
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine (CID 62451204) is N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine is CNCC1CCC(COc2cccnc2)O1.
What is the InChIKey of N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine?
The InChIKey is SSFPDMCGHDEEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-7-11-4-5-12(16-11)9-15-10-3-2-6-14-8-10/h2-3,6,8,11-13H,4-5,7,9H2,1H3.
What are the key properties of N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine?
N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(pyridin-3-yloxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62451204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).