N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine

C11H16N2O2 — CID 81251241

IUPACN-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1OC1CCOC1
InChIInChI=1S/C11H16N2O2/c1-12-6-9-7-13-4-2-11(9)15-10-3-5-14-8-10/h2,4,7,10,12H,3,5-6,8H2,1H3
InChIKeyMFANAKNIPIDLLI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine

N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine (PubChem CID 81251241) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine
PubChem CID81251241
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1OC1CCOC1
InChIInChI=1S/C11H16N2O2/c1-12-6-9-7-13-4-2-11(9)15-10-3-5-14-8-10/h2,4,7,10,12H,3,5-6,8H2,1H3
InChIKeyMFANAKNIPIDLLI-UHFFFAOYSA-N
XLogP0.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine (CID 81251241) is N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine is CNCc1cnccc1OC1CCOC1.
What is the InChIKey of N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine?
The InChIKey is MFANAKNIPIDLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-6-9-7-13-4-2-11(9)15-10-3-5-14-8-10/h2,4,7,10,12H,3,5-6,8H2,1H3.
What are the key properties of N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine?
N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81251241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).