5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine

C17H29N3 — CID 43697274

IUPAC5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CCCCCCC2)cn1
InChIInChI=1S/C17H29N3/c1-3-20(4-2)17-13-12-16(14-18-17)19-15-10-8-6-5-7-9-11-15/h12-15,19H,3-11H2,1-2H3
InChIKeyHXPUTRCOLOZGGO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds5

About 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine

5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 43697274) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID43697274
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NC2CCCCCCC2)cn1
InChIInChI=1S/C17H29N3/c1-3-20(4-2)17-13-12-16(14-18-17)19-15-10-8-6-5-7-9-11-15/h12-15,19H,3-11H2,1-2H3
InChIKeyHXPUTRCOLOZGGO-UHFFFAOYSA-N
XLogP4.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine (CID 43697274) is 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(NC2CCCCCCC2)cn1.
What is the InChIKey of 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is HXPUTRCOLOZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-20(4-2)17-13-12-16(14-18-17)19-15-10-8-6-5-7-9-11-15/h12-15,19H,3-11H2,1-2H3.
What are the key properties of 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 43697274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).