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

C12H18BrN3 — CID 114869071

IUPAC4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCc1cc(NC2CCC(N)CC2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-6-12(15-7-11(8)13)16-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,16)
InChIKeyJBDIBFKTYWMCPW-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.83
Rot. Bonds2

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

4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 114869071) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID114869071
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCc1cc(NC2CCC(N)CC2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-6-12(15-7-11(8)13)16-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,16)
InChIKeyJBDIBFKTYWMCPW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
CID 114869475
5-bromo-4-methyl-N-(2-methylcyclobutyl)pyridin-2-amine
CID 130556125
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86694119
5-bromo-N-(2,3-dimethylcyclopentyl)-4-methylpyridin-2-amine
CID 114869307
N-[2-(aminomethyl)cyclopentyl]-5-bromo-4-methylpyridin-2-amine
CID 114869559
N-cyclopropyl-5-ethenyl-4-methylpyridin-2-amine
CID 102545750
5-bromo-N-(2-ethylcyclopropyl)-4-methylpyridin-2-amine
CID 103858129
5-bromo-4-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-2-amine
CID 114869348
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
CID 103858137
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine (CID 114869071) is 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine is Cc1cc(NC2CCC(N)CC2)ncc1Br.
What is the InChIKey of 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is JBDIBFKTYWMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-6-12(15-7-11(8)13)16-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-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 4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114869071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).