5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine

C15H27N3 — CID 82104382

IUPAC5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine
SMILESCCCCCC(CC)Nc1ccc(NCC)cn1
InChIInChI=1S/C15H27N3/c1-4-7-8-9-13(5-2)18-15-11-10-14(12-17-15)16-6-3/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyUVQUWLCYYZYPGB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.28
Rot. Bonds9

About 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine

5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine (PubChem CID 82104382) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine
PubChem CID82104382
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine
SMILESCCCCCC(CC)Nc1ccc(NCC)cn1
InChIInChI=1S/C15H27N3/c1-4-7-8-9-13(5-2)18-15-11-10-14(12-17-15)16-6-3/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyUVQUWLCYYZYPGB-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine?
The IUPAC name of 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine (CID 82104382) is 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine?
The canonical SMILES for 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine is CCCCCC(CC)Nc1ccc(NCC)cn1.
What is the InChIKey of 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine?
The InChIKey is UVQUWLCYYZYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-8-9-13(5-2)18-15-11-10-14(12-17-15)16-6-3/h10-13,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine?
5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine has a molecular weight of 249.40 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine is sourced from PubChem (CID 82104382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).