(1R)-1-(5-butoxy-2-pyridinyl)ethanamine

C11H18N2O — CID 83124335

IUPAC(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
SMILESCCCCOc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C11H18N2O/c1-3-4-7-14-10-5-6-11(9(2)12)13-8-10/h5-6,8-9H,3-4,7,12H2,1-2H3/t9-/m1/s1
InChIKeyKIPWYLJKAMQTHO-SECBINFHSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds5

About (1R)-1-(5-butoxy-2-pyridinyl)ethanamine

(1R)-1-(5-butoxy-2-pyridinyl)ethanamine (PubChem CID 83124335) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R)-1-(5-butoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
PubChem CID83124335
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
SMILESCCCCOc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C11H18N2O/c1-3-4-7-14-10-5-6-11(9(2)12)13-8-10/h5-6,8-9H,3-4,7,12H2,1-2H3/t9-/m1/s1
InChIKeyKIPWYLJKAMQTHO-SECBINFHSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(5-butoxy-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-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
(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
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
(1R)-1-[5-(2-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83127920
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-butoxy-2-pyridinyl)ethanamine?
The IUPAC name of (1R)-1-(5-butoxy-2-pyridinyl)ethanamine (CID 83124335) is (1R)-1-(5-butoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-butoxy-2-pyridinyl)ethanamine?
The canonical SMILES for (1R)-1-(5-butoxy-2-pyridinyl)ethanamine is CCCCOc1ccc([C@@H](C)N)nc1.
What is the InChIKey of (1R)-1-(5-butoxy-2-pyridinyl)ethanamine?
The InChIKey is KIPWYLJKAMQTHO-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-7-14-10-5-6-11(9(2)12)13-8-10/h5-6,8-9H,3-4,7,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-butoxy-2-pyridinyl)ethanamine?
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-butoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).