(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine

C13H22N2O2 — CID 83123515

IUPAC(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
SMILESCCCCOCCOc1ccc([C@H](C)N)nc1
InChIInChI=1S/C13H22N2O2/c1-3-4-7-16-8-9-17-12-5-6-13(11(2)14)15-10-12/h5-6,10-11H,3-4,7-9,14H2,1-2H3/t11-/m0/s1
InChIKeyCPVGTXXZWBZFMS-NSHDSACASA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds8

About (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine (PubChem CID 83123515) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
PubChem CID83123515
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
SMILESCCCCOCCOc1ccc([C@H](C)N)nc1
InChIInChI=1S/C13H22N2O2/c1-3-4-7-16-8-9-17-12-5-6-13(11(2)14)15-10-12/h5-6,10-11H,3-4,7-9,14H2,1-2H3/t11-/m0/s1
InChIKeyCPVGTXXZWBZFMS-NSHDSACASA-N
XLogP2.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
(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-(2-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83127920
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine (CID 83123515) is (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine is CCCCOCCOc1ccc([C@H](C)N)nc1.
What is the InChIKey of (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine?
The InChIKey is CPVGTXXZWBZFMS-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-7-16-8-9-17-12-5-6-13(11(2)14)15-10-12/h5-6,10-11H,3-4,7-9,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).