1-(5-butoxy-2-pyridinyl)butan-2-amine

C13H22N2O — CID 79796005

IUPAC1-(5-butoxy-2-pyridinyl)butan-2-amine
SMILESCCCCOc1ccc(CC(N)CC)nc1
InChIInChI=1S/C13H22N2O/c1-3-5-8-16-13-7-6-12(15-10-13)9-11(14)4-2/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyRUIRTLYTGBENOU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds7

About 1-(5-butoxy-2-pyridinyl)butan-2-amine

1-(5-butoxy-2-pyridinyl)butan-2-amine (PubChem CID 79796005) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(5-butoxy-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-butoxy-2-pyridinyl)butan-2-amine
PubChem CID79796005
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(5-butoxy-2-pyridinyl)butan-2-amine
SMILESCCCCOc1ccc(CC(N)CC)nc1
InChIInChI=1S/C13H22N2O/c1-3-5-8-16-13-7-6-12(15-10-13)9-11(14)4-2/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyRUIRTLYTGBENOU-UHFFFAOYSA-N
XLogP2.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
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

1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794
1-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79796010
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413

Frequently Asked Questions

What is the IUPAC name of 1-(5-butoxy-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(5-butoxy-2-pyridinyl)butan-2-amine (CID 79796005) is 1-(5-butoxy-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(5-butoxy-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(5-butoxy-2-pyridinyl)butan-2-amine is CCCCOc1ccc(CC(N)CC)nc1.
What is the InChIKey of 1-(5-butoxy-2-pyridinyl)butan-2-amine?
The InChIKey is RUIRTLYTGBENOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-8-16-13-7-6-12(15-10-13)9-11(14)4-2/h6-7,10-11H,3-5,8-9,14H2,1-2H3.
What are the key properties of 1-(5-butoxy-2-pyridinyl)butan-2-amine?
1-(5-butoxy-2-pyridinyl)butan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butoxy-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 79796005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).