(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine

C12H20N2O — CID 83127275

IUPAC(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
SMILESCC(C)CCOc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C12H20N2O/c1-9(2)6-7-15-11-4-5-12(10(3)13)14-8-11/h4-5,8-10H,6-7,13H2,1-3H3/t10-/m1/s1
InChIKeyJORPGDVJISXVAJ-SNVBAGLBSA-N
MW208.31 g/mol
LogP2.53
Rot. Bonds5

About (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine

(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine (PubChem CID 83127275) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
PubChem CID83127275
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
SMILESCC(C)CCOc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C12H20N2O/c1-9(2)6-7-15-11-4-5-12(10(3)13)14-8-11/h4-5,8-10H,6-7,13H2,1-3H3/t10-/m1/s1
InChIKeyJORPGDVJISXVAJ-SNVBAGLBSA-N
XLogP2.53
TPSA48.14 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
(1R)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123240
(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123322
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
CID 83127037
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]ethanamine
CID 83123756

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine (CID 83127275) is (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine is CC(C)CCOc1ccc([C@@H](C)N)nc1.
What is the InChIKey of (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine?
The InChIKey is JORPGDVJISXVAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)6-7-15-11-4-5-12(10(3)13)14-8-11/h4-5,8-10H,6-7,13H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).