3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine

C13H20BrN3 — CID 79535351

IUPAC3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CCCCC1N(C)c1ncc(N)cc1Br
InChIInChI=1S/C13H20BrN3/c1-9-5-3-4-6-12(9)17(2)13-11(14)7-10(15)8-16-13/h7-9,12H,3-6,15H2,1-2H3
InChIKeyIIRLLMLGIHHZIF-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.44
Rot. Bonds2

About 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine

3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine (PubChem CID 79535351) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
PubChem CID79535351
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
SMILESCC1CCCCC1N(C)c1ncc(N)cc1Br
InChIInChI=1S/C13H20BrN3/c1-9-5-3-4-6-12(9)17(2)13-11(14)7-10(15)8-16-13/h7-9,12H,3-6,15H2,1-2H3
InChIKeyIIRLLMLGIHHZIF-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine (CID 79535351) is 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine is CC1CCCCC1N(C)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is IIRLLMLGIHHZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9-5-3-4-6-12(9)17(2)13-11(14)7-10(15)8-16-13/h7-9,12H,3-6,15H2,1-2H3.
What are the key properties of 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine?
3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 298.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 79535351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).