N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine

C12H20N2O — CID 83045840

IUPACN-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
SMILESCCCC(CNC)Oc1cccnc1C
InChIInChI=1S/C12H20N2O/c1-4-6-11(9-13-3)15-12-7-5-8-14-10(12)2/h5,7-8,11,13H,4,6,9H2,1-3H3
InChIKeyOLUFPOFXVGKMAR-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine

N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine (PubChem CID 83045840) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
PubChem CID83045840
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
SMILESCCCC(CNC)Oc1cccnc1C
InChIInChI=1S/C12H20N2O/c1-4-6-11(9-13-3)15-12-7-5-8-14-10(12)2/h5,7-8,11,13H,4,6,9H2,1-3H3
InChIKeyOLUFPOFXVGKMAR-UHFFFAOYSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine?
The IUPAC name of N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine (CID 83045840) is N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine.
What is the SMILES notation for N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine?
The canonical SMILES for N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine is CCCC(CNC)Oc1cccnc1C.
What is the InChIKey of N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine?
The InChIKey is OLUFPOFXVGKMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-11(9-13-3)15-12-7-5-8-14-10(12)2/h5,7-8,11,13H,4,6,9H2,1-3H3.
What are the key properties of N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine?
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine is sourced from PubChem (CID 83045840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).