5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine

C12H18BrN3 — CID 103517981

IUPAC5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine
SMILESCC1(Nc2c(N)cncc2Br)CCCCC1
InChIInChI=1S/C12H18BrN3/c1-12(5-3-2-4-6-12)16-11-9(13)7-15-8-10(11)14/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyFSKLTNAMXCBAHC-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine

5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine (PubChem CID 103517981) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine
PubChem CID103517981
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine
SMILESCC1(Nc2c(N)cncc2Br)CCCCC1
InChIInChI=1S/C12H18BrN3/c1-12(5-3-2-4-6-12)16-11-9(13)7-15-8-10(11)14/h7-8H,2-6,14H2,1H3,(H,15,16)
InChIKeyFSKLTNAMXCBAHC-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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Related Compounds

3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine
CID 103519296
5-bromo-4-N-(2,2-dimethylcyclohexyl)pyridine-3,4-diamine
CID 103518309
5-bromo-4-N-[(1-methylsulfanylcyclohexyl)methyl]pyridine-3,4-diamine
CID 114115717
5-bromo-4-N-(3,5-dimethyl-1-adamantyl)pyridine-3,4-diamine
CID 103518312
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
5-bromo-4-N-cycloheptylpyridine-3,4-diamine
CID 103517668
3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine
CID 79534270
4-bromo-5-fluoro-1-N-(1-methylcyclohexyl)benzene-1,2-diamine
CID 66110738
6-chloro-2-N-(1-methylcyclohexyl)pyridine-2,3-diamine
CID 115474028
4-N-(1-methylcyclobutyl)quinoline-3,4-diamine
CID 113485310
4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
CID 66109733
5-bromo-4-N-cyclopent-3-en-1-ylpyridine-3,4-diamine
CID 103518477

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine (CID 103517981) is 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine is CC1(Nc2c(N)cncc2Br)CCCCC1.
What is the InChIKey of 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine?
The InChIKey is FSKLTNAMXCBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-12(5-3-2-4-6-12)16-11-9(13)7-15-8-10(11)14/h7-8H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine?
5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-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 5-bromo-4-N-(1-methylcyclohexyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).