2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine

C12H18BrN3 — CID 114869475

IUPAC2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
SMILESCc1cc(NC2CCCCC2N)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-6-12(15-7-9(8)13)16-11-5-3-2-4-10(11)14/h6-7,10-11H,2-5,14H2,1H3,(H,15,16)
InChIKeyPHOAANIUILPPPV-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.83
Rot. Bonds2

About 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine

2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine (PubChem CID 114869475) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
PubChem CID114869475
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
SMILESCc1cc(NC2CCCCC2N)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-6-12(15-7-9(8)13)16-11-5-3-2-4-10(11)14/h6-7,10-11H,2-5,14H2,1H3,(H,15,16)
InChIKeyPHOAANIUILPPPV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
CID 114869559
5-bromo-4-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-2-amine
CID 114869348
5-bromo-4-methyl-N-(2-methylcyclobutyl)pyridin-2-amine
CID 130556125
5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine
CID 103858129
4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114869071
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432
5-bromo-N-(2,3-dimethylcyclopentyl)-4-methylpyridin-2-amine
CID 114869307
cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
CID 159909589
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386
2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine
CID 58464157

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine (CID 114869475) is 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine is Cc1cc(NC2CCCCC2N)ncc1Br.
What is the InChIKey of 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine?
The InChIKey is PHOAANIUILPPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-6-12(15-7-9(8)13)16-11-5-3-2-4-10(11)14/h6-7,10-11H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine?
2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine has a molecular weight of 284.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 114869475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).