2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine

C14H22N2O — CID 114157294

IUPAC2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(COCCC2CCC2)c(C)c1N
InChIInChI=1S/C14H22N2O/c1-10-8-16-13(11(2)14(10)15)9-17-7-6-12-4-3-5-12/h8,12H,3-7,9H2,1-2H3,(H2,15,16)
InChIKeyUJCOCKMORONPKG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.99
Rot. Bonds5

About 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine

2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine (PubChem CID 114157294) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine
PubChem CID114157294
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(COCCC2CCC2)c(C)c1N
InChIInChI=1S/C14H22N2O/c1-10-8-16-13(11(2)14(10)15)9-17-7-6-12-4-3-5-12/h8,12H,3-7,9H2,1-2H3,(H2,15,16)
InChIKeyUJCOCKMORONPKG-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine (CID 114157294) is 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine is Cc1cnc(COCCC2CCC2)c(C)c1N.
What is the InChIKey of 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine?
The InChIKey is UJCOCKMORONPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-16-13(11(2)14(10)15)9-17-7-6-12-4-3-5-12/h8,12H,3-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine?
2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxymethyl)-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 114157294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).