N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine

C13H22N2O2 — CID 106451443

IUPACN-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
SMILESCCNc1cncc(OCCOCC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-4-15-12-7-13(9-14-8-12)17-6-5-16-10-11(2)3/h7-9,11,15H,4-6,10H2,1-3H3
InChIKeyZHFGSIISPIRSPZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.56
Rot. Bonds8

About N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine

N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine (PubChem CID 106451443) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
PubChem CID106451443
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
SMILESCCNc1cncc(OCCOCC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-4-15-12-7-13(9-14-8-12)17-6-5-16-10-11(2)3/h7-9,11,15H,4-6,10H2,1-3H3
InChIKeyZHFGSIISPIRSPZ-UHFFFAOYSA-N
XLogP2.56
TPSA43.38 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 ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine?
The IUPAC name of N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine (CID 106451443) is N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine?
The canonical SMILES for N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine is CCNc1cncc(OCCOCC(C)C)c1.
What is the InChIKey of N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine?
The InChIKey is ZHFGSIISPIRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15-12-7-13(9-14-8-12)17-6-5-16-10-11(2)3/h7-9,11,15H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine?
N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine is sourced from PubChem (CID 106451443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).