6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine

C13H23N3 — CID 115324773

IUPAC6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
SMILESCc1nc(NCCCCC(C)C)ccc1N
InChIInChI=1S/C13H23N3/c1-10(2)6-4-5-9-15-13-8-7-12(14)11(3)16-13/h7-8,10H,4-6,9,14H2,1-3H3,(H,15,16)
InChIKeyXVYUCLWBBTZQIE-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.21
Rot. Bonds6

About 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine

6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine (PubChem CID 115324773) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
PubChem CID115324773
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
SMILESCc1nc(NCCCCC(C)C)ccc1N
InChIInChI=1S/C13H23N3/c1-10(2)6-4-5-9-15-13-8-7-12(14)11(3)16-13/h7-8,10H,4-6,9,14H2,1-3H3,(H,15,16)
InChIKeyXVYUCLWBBTZQIE-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.21
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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Related Compounds

6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82060932
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine
CID 115147791
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine?
The IUPAC name of 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine (CID 115324773) is 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine is Cc1nc(NCCCCC(C)C)ccc1N.
What is the InChIKey of 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine?
The InChIKey is XVYUCLWBBTZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)6-4-5-9-15-13-8-7-12(14)11(3)16-13/h7-8,10H,4-6,9,14H2,1-3H3,(H,15,16).
What are the key properties of 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine?
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine is sourced from PubChem (CID 115324773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).