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

C11H18N2O — CID 79799974

IUPAC2-(5-butoxy-2-pyridinyl)ethanamine
SMILESCCCCOc1ccc(CCN)nc1
InChIInChI=1S/C11H18N2O/c1-2-3-8-14-11-5-4-10(6-7-12)13-9-11/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyWOVGKZKMAHOORA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.76
Rot. Bonds6

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

2-(5-butoxy-2-pyridinyl)ethanamine (PubChem CID 79799974) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(5-butoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-butoxy-2-pyridinyl)ethanamine
PubChem CID79799974
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(5-butoxy-2-pyridinyl)ethanamine
SMILESCCCCOc1ccc(CCN)nc1
InChIInChI=1S/C11H18N2O/c1-2-3-8-14-11-5-4-10(6-7-12)13-9-11/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyWOVGKZKMAHOORA-UHFFFAOYSA-N
XLogP1.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-butoxy-2-pyridinyl)methanamine
CID 79787452
2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine
CID 79799508
2-(5-methoxy-2-pyridinyl)ethanamine;hydrochloride
CID 86280253
2-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 79799793
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
2-[5-[(5-ethylthiophen-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79800152
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 115487193
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
2-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79799613
5-octoxypyridin-2-amine
CID 43126983

Frequently Asked Questions

What is the IUPAC name of 2-(5-butoxy-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-butoxy-2-pyridinyl)ethanamine (CID 79799974) is 2-(5-butoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-butoxy-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-butoxy-2-pyridinyl)ethanamine is CCCCOc1ccc(CCN)nc1.
What is the InChIKey of 2-(5-butoxy-2-pyridinyl)ethanamine?
The InChIKey is WOVGKZKMAHOORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-8-14-11-5-4-10(6-7-12)13-9-11/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of 2-(5-butoxy-2-pyridinyl)ethanamine?
2-(5-butoxy-2-pyridinyl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 79799974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).