3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine

C12H21N3O2 — CID 104533940

IUPAC3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCCOCCOC)c1
InChIInChI=1S/C12H21N3O2/c1-3-14-11-8-12(10-13-9-11)15-4-5-17-7-6-16-2/h8-10,14-15H,3-7H2,1-2H3
InChIKeyNXLFKBWYGLNJHQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds9

About 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine

3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine (PubChem CID 104533940) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
PubChem CID104533940
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCCOCCOC)c1
InChIInChI=1S/C12H21N3O2/c1-3-14-11-8-12(10-13-9-11)15-4-5-17-7-6-16-2/h8-10,14-15H,3-7H2,1-2H3
InChIKeyNXLFKBWYGLNJHQ-UHFFFAOYSA-N
XLogP1.59
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-N-ethyl-5-N-(2-phenoxyethyl)pyridine-3,5-diamine
CID 104533858
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine (CID 104533940) is 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine is CCNc1cncc(NCCOCCOC)c1.
What is the InChIKey of 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine?
The InChIKey is NXLFKBWYGLNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-14-11-8-12(10-13-9-11)15-4-5-17-7-6-16-2/h8-10,14-15H,3-7H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine?
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine is sourced from PubChem (CID 104533940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).