3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine

C12H18BrN3 — CID 79534270

IUPAC3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine
SMILESCC1(Nc2ncc(N)cc2Br)CCCCC1
InChIInChI=1S/C12H18BrN3/c1-12(5-3-2-4-6-12)16-11-10(13)7-9(14)8-15-11/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyXUUGERKLSJXPGM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.56
Rot. Bonds2

About 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine

3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine (PubChem CID 79534270) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine
PubChem CID79534270
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine
SMILESCC1(Nc2ncc(N)cc2Br)CCCCC1
InChIInChI=1S/C12H18BrN3/c1-12(5-3-2-4-6-12)16-11-10(13)7-9(14)8-15-11/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyXUUGERKLSJXPGM-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine (CID 79534270) is 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine is CC1(Nc2ncc(N)cc2Br)CCCCC1.
What is the InChIKey of 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is XUUGERKLSJXPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-12(5-3-2-4-6-12)16-11-10(13)7-9(14)8-15-11/h7-8H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine?
3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 284.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 79534270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).