6-N-hexan-3-ylpyridine-2,3,6-triamine

C11H20N4 — CID 79826041

IUPAC6-N-hexan-3-ylpyridine-2,3,6-triamine
SMILESCCCC(CC)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4/c1-3-5-8(4-2)14-10-7-6-9(12)11(13)15-10/h6-8H,3-5,12H2,1-2H3,(H3,13,14,15)
InChIKeyVUNCFJAWNAWDFY-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.24
Rot. Bonds5

About 6-N-hexan-3-ylpyridine-2,3,6-triamine

6-N-hexan-3-ylpyridine-2,3,6-triamine (PubChem CID 79826041) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-N-hexan-3-ylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-hexan-3-ylpyridine-2,3,6-triamine
PubChem CID79826041
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-N-hexan-3-ylpyridine-2,3,6-triamine
SMILESCCCC(CC)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4/c1-3-5-8(4-2)14-10-7-6-9(12)11(13)15-10/h6-8H,3-5,12H2,1-2H3,(H3,13,14,15)
InChIKeyVUNCFJAWNAWDFY-UHFFFAOYSA-N
XLogP2.24
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-hexan-3-ylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-hexan-3-ylpyridine-2,3,6-triamine (CID 79826041) is 6-N-hexan-3-ylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-hexan-3-ylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-hexan-3-ylpyridine-2,3,6-triamine is CCCC(CC)Nc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-hexan-3-ylpyridine-2,3,6-triamine?
The InChIKey is VUNCFJAWNAWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-8(4-2)14-10-7-6-9(12)11(13)15-10/h6-8H,3-5,12H2,1-2H3,(H3,13,14,15).
What are the key properties of 6-N-hexan-3-ylpyridine-2,3,6-triamine?
6-N-hexan-3-ylpyridine-2,3,6-triamine has a molecular weight of 208.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-hexan-3-ylpyridine-2,3,6-triamine is sourced from PubChem (CID 79826041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).