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

C16H26BrN3 — CID 104507129

IUPAC3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2CC(C)(C)CC(C)(C)C2)c1Br
InChIInChI=1S/C16H26BrN3/c1-10-12(18)8-19-14(13(10)17)20-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9,18H2,1-5H3,(H,19,20)
InChIKeyNLGNHSVVAUQPBA-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.75
Rot. Bonds2

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

3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine (PubChem CID 104507129) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
PubChem CID104507129
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2CC(C)(C)CC(C)(C)C2)c1Br
InChIInChI=1S/C16H26BrN3/c1-10-12(18)8-19-14(13(10)17)20-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9,18H2,1-5H3,(H,19,20)
InChIKeyNLGNHSVVAUQPBA-UHFFFAOYSA-N
XLogP4.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine (CID 104507129) is 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine is Cc1c(N)cnc(NC2CC(C)(C)CC(C)(C)C2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is NLGNHSVVAUQPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-10-12(18)8-19-14(13(10)17)20-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9,18H2,1-5H3,(H,19,20).
What are the key properties of 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 340.31 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 104507129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).