1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine

C12H20N2O2 — CID 83128080

IUPAC1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
SMILESCC(C)OCCOc1ccc(C(C)N)nc1
InChIInChI=1S/C12H20N2O2/c1-9(2)15-6-7-16-11-4-5-12(10(3)13)14-8-11/h4-5,8-10H,6-7,13H2,1-3H3
InChIKeyXHSJKTGWAAYAJC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.91
Rot. Bonds6

About 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine

1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine (PubChem CID 83128080) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
PubChem CID83128080
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
SMILESCC(C)OCCOc1ccc(C(C)N)nc1
InChIInChI=1S/C12H20N2O2/c1-9(2)15-6-7-16-11-4-5-12(10(3)13)14-8-11/h4-5,8-10H,6-7,13H2,1-3H3
InChIKeyXHSJKTGWAAYAJC-UHFFFAOYSA-N
XLogP1.91
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.91
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

1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
(1R)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123240
(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123322
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124338

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine (CID 83128080) is 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine is CC(C)OCCOc1ccc(C(C)N)nc1.
What is the InChIKey of 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine?
The InChIKey is XHSJKTGWAAYAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)15-6-7-16-11-4-5-12(10(3)13)14-8-11/h4-5,8-10H,6-7,13H2,1-3H3.
What are the key properties of 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine?
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83128080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).