2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine

C12H18BrN3 — CID 102639487

IUPAC2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCN(c1ccncc1Br)C1CCCCC1N
InChIInChI=1S/C12H18BrN3/c1-16(11-6-7-15-8-9(11)13)12-5-3-2-4-10(12)14/h6-8,10,12H,2-5,14H2,1H3
InChIKeyHAMFJGYMNFLDHJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.55
Rot. Bonds2

About 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine

2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 102639487) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID102639487
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
SMILESCN(c1ccncc1Br)C1CCCCC1N
InChIInChI=1S/C12H18BrN3/c1-16(11-6-7-15-8-9(11)13)12-5-3-2-4-10(12)14/h6-8,10,12H,2-5,14H2,1H3
InChIKeyHAMFJGYMNFLDHJ-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-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-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117930
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194
2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine
CID 115117895
4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632519
1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117243
[4-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
CID 81237882
3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
CID 104778478
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-N-methyl-2-N-(1-methylimidazol-2-yl)cyclohexane-1,2-diamine
CID 102639462
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine (CID 102639487) is 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine is CN(c1ccncc1Br)C1CCCCC1N.
What is the InChIKey of 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is HAMFJGYMNFLDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-16(11-6-7-15-8-9(11)13)12-5-3-2-4-10(12)14/h6-8,10,12H,2-5,14H2,1H3.
What are the key properties of 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 284.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).