N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine

C12H20N2O — CID 83127836

IUPACN-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(OCC(C)C)cn1
InChIInChI=1S/C12H20N2O/c1-9(2)8-15-11-5-6-12(14-7-11)10(3)13-4/h5-7,9-10,13H,8H2,1-4H3
InChIKeyNKKYGSKQJDVZQN-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine

N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine (PubChem CID 83127836) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
PubChem CID83127836
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(OCC(C)C)cn1
InChIInChI=1S/C12H20N2O/c1-9(2)8-15-11-5-6-12(14-7-11)10(3)13-4/h5-7,9-10,13H,8H2,1-4H3
InChIKeyNKKYGSKQJDVZQN-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine
CID 112584711
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124087
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
CID 83123383
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 106447905
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83123940
1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
CID 116801689
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83127027
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine (CID 83127836) is N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine is CNC(C)c1ccc(OCC(C)C)cn1.
What is the InChIKey of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine?
The InChIKey is NKKYGSKQJDVZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)8-15-11-5-6-12(14-7-11)10(3)13-4/h5-7,9-10,13H,8H2,1-4H3.
What are the key properties of N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine?
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).