(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine

C12H20N2O — CID 103937876

IUPAC(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
SMILESCCC(C)Oc1ccc([C@@H](N)CC)nc1
InChIInChI=1S/C12H20N2O/c1-4-9(3)15-10-6-7-12(14-8-10)11(13)5-2/h6-9,11H,4-5,13H2,1-3H3/t9?,11-/m0/s1
InChIKeyVMHWDZVKQKOWFX-UMJHXOGRSA-N
MW208.31 g/mol
LogP2.67
Rot. Bonds5

About (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine

(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine (PubChem CID 103937876) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
PubChem CID103937876
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
SMILESCCC(C)Oc1ccc([C@@H](N)CC)nc1
InChIInChI=1S/C12H20N2O/c1-4-9(3)15-10-6-7-12(14-8-10)11(13)5-2/h6-9,11H,4-5,13H2,1-3H3/t9?,11-/m0/s1
InChIKeyVMHWDZVKQKOWFX-UMJHXOGRSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124338
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937754
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
CID 83127037

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine (CID 103937876) is (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine is CCC(C)Oc1ccc([C@@H](N)CC)nc1.
What is the InChIKey of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine?
The InChIKey is VMHWDZVKQKOWFX-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-9(3)15-10-6-7-12(14-8-10)11(13)5-2/h6-9,11H,4-5,13H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine?
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine has a molecular weight of 208.31 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-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 103937876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).