N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine

C12H20N2O3 — CID 91971360

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine
SMILESCOCCOCCOCCNc1ccncc1
InChIInChI=1S/C12H20N2O3/c1-15-8-9-17-11-10-16-7-6-14-12-2-4-13-5-3-12/h2-5H,6-11H2,1H3,(H,13,14)
InChIKeyPBEWWZBEIBLAGN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.17
Rot. Bonds10

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine (PubChem CID 91971360) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine
PubChem CID91971360
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine
SMILESCOCCOCCOCCNc1ccncc1
InChIInChI=1S/C12H20N2O3/c1-15-8-9-17-11-10-16-7-6-14-12-2-4-13-5-3-12/h2-5H,6-11H2,1H3,(H,13,14)
InChIKeyPBEWWZBEIBLAGN-UHFFFAOYSA-N
XLogP1.17
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine (CID 91971360) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine is COCCOCCOCCNc1ccncc1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine?
The InChIKey is PBEWWZBEIBLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-15-8-9-17-11-10-16-7-6-14-12-2-4-13-5-3-12/h2-5H,6-11H2,1H3,(H,13,14).
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine has a molecular weight of 240.30 g/mol, XLogP of 1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-4-amine is sourced from PubChem (CID 91971360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).