5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine

C15H27N3O — CID 80635154

IUPAC5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
SMILESCCOCCN(CC)c1ccc(CC(N)CC)cn1
InChIInChI=1S/C15H27N3O/c1-4-14(16)11-13-7-8-15(17-12-13)18(5-2)9-10-19-6-3/h7-8,12,14H,4-6,9-11,16H2,1-3H3
InChIKeyRQBUKKDZRGVUHB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.22
Rot. Bonds9

About 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine

5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine (PubChem CID 80635154) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
PubChem CID80635154
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
SMILESCCOCCN(CC)c1ccc(CC(N)CC)cn1
InChIInChI=1S/C15H27N3O/c1-4-14(16)11-13-7-8-15(17-12-13)18(5-2)9-10-19-6-3/h7-8,12,14H,4-6,9-11,16H2,1-3H3
InChIKeyRQBUKKDZRGVUHB-UHFFFAOYSA-N
XLogP2.22
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine (CID 80635154) is 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine is CCOCCN(CC)c1ccc(CC(N)CC)cn1.
What is the InChIKey of 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
The InChIKey is RQBUKKDZRGVUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-14(16)11-13-7-8-15(17-12-13)18(5-2)9-10-19-6-3/h7-8,12,14H,4-6,9-11,16H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine?
5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 80635154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).