5-butoxy-N-propylpyridin-3-amine

C12H20N2O — CID 104536219

IUPAC5-butoxy-N-propylpyridin-3-amine
SMILESCCCCOc1cncc(NCCC)c1
InChIInChI=1S/C12H20N2O/c1-3-5-7-15-12-8-11(9-13-10-12)14-6-4-2/h8-10,14H,3-7H2,1-2H3
InChIKeyIBIAYNGRSDSMBQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.08
Rot. Bonds7

About 5-butoxy-N-propylpyridin-3-amine

5-butoxy-N-propylpyridin-3-amine (PubChem CID 104536219) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-butoxy-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-butoxy-N-propylpyridin-3-amine
PubChem CID104536219
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-butoxy-N-propylpyridin-3-amine
SMILESCCCCOc1cncc(NCCC)c1
InChIInChI=1S/C12H20N2O/c1-3-5-7-15-12-8-11(9-13-10-12)14-6-4-2/h8-10,14H,3-7H2,1-2H3
InChIKeyIBIAYNGRSDSMBQ-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.08
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-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
CID 104568332
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
5-(2-cyclopropylethoxy)-N-propylpyridin-3-amine
CID 106207485
N-ethyl-5-octoxypyridin-3-amine
CID 113424296
5-[2-[cyclopropyl(methyl)amino]ethoxy]-N-propylpyridin-3-amine
CID 102741340
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
N-ethyl-5-(2-phenoxyethoxy)pyridin-3-amine
CID 104536114
5-(4-methylcyclohexyl)oxy-N-propylpyridin-3-amine
CID 104536121
5-cyclohexyloxy-N-propylpyridin-3-amine
CID 104536075
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-propylpyridin-3-amine?
The IUPAC name of 5-butoxy-N-propylpyridin-3-amine (CID 104536219) is 5-butoxy-N-propylpyridin-3-amine.
What is the SMILES notation for 5-butoxy-N-propylpyridin-3-amine?
The canonical SMILES for 5-butoxy-N-propylpyridin-3-amine is CCCCOc1cncc(NCCC)c1.
What is the InChIKey of 5-butoxy-N-propylpyridin-3-amine?
The InChIKey is IBIAYNGRSDSMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-7-15-12-8-11(9-13-10-12)14-6-4-2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 5-butoxy-N-propylpyridin-3-amine?
5-butoxy-N-propylpyridin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-propylpyridin-3-amine is sourced from PubChem (CID 104536219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).