(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine

C13H20N2O — CID 106202300

IUPAC(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCC2CCC2)nc1
InChIInChI=1S/C13H20N2O/c1-10(14)12-5-6-13(15-9-12)16-8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8,14H2,1H3/t10-/m0/s1
InChIKeyLAKYMPFEVOVAKJ-JTQLQIEISA-N
MW220.32 g/mol
LogP2.67
Rot. Bonds5

About (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine

(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine (PubChem CID 106202300) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
PubChem CID106202300
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCC2CCC2)nc1
InChIInChI=1S/C13H20N2O/c1-10(14)12-5-6-13(15-9-12)16-8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8,14H2,1H3/t10-/m0/s1
InChIKeyLAKYMPFEVOVAKJ-JTQLQIEISA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[5-[(1R)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740288
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
CID 106203581
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
6-(2-cyclobutylethoxy)pyridine-3-sulfonyl chloride
CID 114157245
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
2-(2-cyclopropylethoxy)-5-methylsulfonylpyridine
CID 123409029
4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 135155112
4-methyl-1-(2-methylpropylsulfanyl)-1-[6-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]pentan-3-one
CID 153281843
6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
CID 114158193
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine (CID 106202300) is (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine is C[C@H](N)c1ccc(OCCC2CCC2)nc1.
What is the InChIKey of (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine?
The InChIKey is LAKYMPFEVOVAKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(14)12-5-6-13(15-9-12)16-8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8,14H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine?
(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 106202300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).