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

C15H24BrN3 — CID 104506588

IUPAC3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
SMILESCCCC1CCC(Nc2ncc(N)c(C)c2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-3-4-11-5-7-12(8-6-11)19-15-14(16)10(2)13(17)9-18-15/h9,11-12H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyOGUIFLQJEUCPSC-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.51
Rot. Bonds4

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

3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine (PubChem CID 104506588) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
PubChem CID104506588
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
SMILESCCCC1CCC(Nc2ncc(N)c(C)c2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-3-4-11-5-7-12(8-6-11)19-15-14(16)10(2)13(17)9-18-15/h9,11-12H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyOGUIFLQJEUCPSC-UHFFFAOYSA-N
XLogP4.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.51
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-(4-propylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine (CID 104506588) is 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine is CCCC1CCC(Nc2ncc(N)c(C)c2Br)CC1.
What is the InChIKey of 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is OGUIFLQJEUCPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-4-11-5-7-12(8-6-11)19-15-14(16)10(2)13(17)9-18-15/h9,11-12H,3-8,17H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 326.28 g/mol, XLogP of 4.51, 4 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-(4-propylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).