5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine

C13H20BrN3 — CID 103518309

IUPAC5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
SMILESCC1(C)CCCCC1Nc1c(N)cncc1Br
InChIInChI=1S/C13H20BrN3/c1-13(2)6-4-3-5-11(13)17-12-9(14)7-16-8-10(12)15/h7-8,11H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyGKWWAXAAAXSBMQ-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.81
Rot. Bonds2

About 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine

5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine (PubChem CID 103518309) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
PubChem CID103518309
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
SMILESCC1(C)CCCCC1Nc1c(N)cncc1Br
InChIInChI=1S/C13H20BrN3/c1-13(2)6-4-3-5-11(13)17-12-9(14)7-16-8-10(12)15/h7-8,11H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyGKWWAXAAAXSBMQ-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine (CID 103518309) is 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine is CC1(C)CCCCC1Nc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
The InChIKey is GKWWAXAAAXSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-13(2)6-4-3-5-11(13)17-12-9(14)7-16-8-10(12)15/h7-8,11H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine?
5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine has a molecular weight of 298.23 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine is sourced from PubChem (CID 103518309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).