1-(5-pentoxy-2-pyridinyl)ethanamine

C12H20N2O — CID 83123207

IUPAC1-(5-pentoxy-2-pyridinyl)ethanamine
SMILESCCCCCOc1ccc(C(C)N)nc1
InChIInChI=1S/C12H20N2O/c1-3-4-5-8-15-11-6-7-12(10(2)13)14-9-11/h6-7,9-10H,3-5,8,13H2,1-2H3
InChIKeySDVZQARSVGICKN-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.67
Rot. Bonds6

About 1-(5-pentoxy-2-pyridinyl)ethanamine

1-(5-pentoxy-2-pyridinyl)ethanamine (PubChem CID 83123207) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(5-pentoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-pentoxy-2-pyridinyl)ethanamine
PubChem CID83123207
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(5-pentoxy-2-pyridinyl)ethanamine
SMILESCCCCCOc1ccc(C(C)N)nc1
InChIInChI=1S/C12H20N2O/c1-3-4-5-8-15-11-6-7-12(10(2)13)14-9-11/h6-7,9-10H,3-5,8,13H2,1-2H3
InChIKeySDVZQARSVGICKN-UHFFFAOYSA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze 1-(5-pentoxy-2-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
(1R)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123240
(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123322
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422

Frequently Asked Questions

What is the IUPAC name of 1-(5-pentoxy-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-pentoxy-2-pyridinyl)ethanamine (CID 83123207) is 1-(5-pentoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-pentoxy-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-pentoxy-2-pyridinyl)ethanamine is CCCCCOc1ccc(C(C)N)nc1.
What is the InChIKey of 1-(5-pentoxy-2-pyridinyl)ethanamine?
The InChIKey is SDVZQARSVGICKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-8-15-11-6-7-12(10(2)13)14-9-11/h6-7,9-10H,3-5,8,13H2,1-2H3.
What are the key properties of 1-(5-pentoxy-2-pyridinyl)ethanamine?
1-(5-pentoxy-2-pyridinyl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83123207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).