6-N-(5-methylhexyl)pyridine-2,3,6-triamine

C12H22N4 — CID 115324674

IUPAC6-N-(5-methylhexyl)pyridine-2,3,6-triamine
SMILESCC(C)CCCCNc1ccc(N)c(N)n1
InChIInChI=1S/C12H22N4/c1-9(2)5-3-4-8-15-11-7-6-10(13)12(14)16-11/h6-7,9H,3-5,8,13H2,1-2H3,(H3,14,15,16)
InChIKeyQHGOFSHCGIOLMM-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.48
Rot. Bonds6

About 6-N-(5-methylhexyl)pyridine-2,3,6-triamine

6-N-(5-methylhexyl)pyridine-2,3,6-triamine (PubChem CID 115324674) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-N-(5-methylhexyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(5-methylhexyl)pyridine-2,3,6-triamine
PubChem CID115324674
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-N-(5-methylhexyl)pyridine-2,3,6-triamine
SMILESCC(C)CCCCNc1ccc(N)c(N)n1
InChIInChI=1S/C12H22N4/c1-9(2)5-3-4-8-15-11-7-6-10(13)12(14)16-11/h6-7,9H,3-5,8,13H2,1-2H3,(H3,14,15,16)
InChIKeyQHGOFSHCGIOLMM-UHFFFAOYSA-N
XLogP2.48
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-(5-methylhexyl)pyridine-2,3,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-N-[2-(dimethylamino)propyl]pyridine-2,3,6-triamine
CID 79828257
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-methylhexyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(5-methylhexyl)pyridine-2,3,6-triamine (CID 115324674) is 6-N-(5-methylhexyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(5-methylhexyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(5-methylhexyl)pyridine-2,3,6-triamine is CC(C)CCCCNc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-(5-methylhexyl)pyridine-2,3,6-triamine?
The InChIKey is QHGOFSHCGIOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)5-3-4-8-15-11-7-6-10(13)12(14)16-11/h6-7,9H,3-5,8,13H2,1-2H3,(H3,14,15,16).
What are the key properties of 6-N-(5-methylhexyl)pyridine-2,3,6-triamine?
6-N-(5-methylhexyl)pyridine-2,3,6-triamine has a molecular weight of 222.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-methylhexyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 115324674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).