2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine

C13H22N2O2 — CID 106446864

IUPAC2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
SMILESCC(C)COCCOC(CN)c1cccnc1
InChIInChI=1S/C13H22N2O2/c1-11(2)10-16-6-7-17-13(8-14)12-4-3-5-15-9-12/h3-5,9,11,13H,6-8,10,14H2,1-2H3
InChIKeyDWSIKMIOSIWYSG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds8

About 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine

2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine (PubChem CID 106446864) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
PubChem CID106446864
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
SMILESCC(C)COCCOC(CN)c1cccnc1
InChIInChI=1S/C13H22N2O2/c1-11(2)10-16-6-7-17-13(8-14)12-4-3-5-15-9-12/h3-5,9,11,13H,6-8,10,14H2,1-2H3
InChIKeyDWSIKMIOSIWYSG-UHFFFAOYSA-N
XLogP1.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
CID 106446893
2-(2-cyclobutylethoxy)-2-pyridin-3-ylethanamine
CID 106200033
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
3-(1-phenoxypropyl)pyridine
CID 57251428
3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine
CID 177219676
2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
CID 82827586
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
2-cyclobutyloxy-2-pyridin-3-ylethanamine
CID 62115429
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine (CID 106446864) is 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine is CC(C)COCCOC(CN)c1cccnc1.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine?
The InChIKey is DWSIKMIOSIWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)10-16-6-7-17-13(8-14)12-4-3-5-15-9-12/h3-5,9,11,13H,6-8,10,14H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine?
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 106446864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).