N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine

C14H21BrClN3 — CID 103582177

IUPACN'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
SMILESNCCCN(c1ncc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H21BrClN3/c15-11-9-13(16)14(18-10-11)19(8-4-7-17)12-5-2-1-3-6-12/h9-10,12H,1-8,17H2
InChIKeyZDGRCKPNEZQXLI-UHFFFAOYSA-N
MW346.70 g/mol
LogP3.99
Rot. Bonds5

About N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine

N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine (PubChem CID 103582177) has the molecular formula C14H21BrClN3 and a molecular weight of 346.70 g/mol. Its IUPAC name is N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
PubChem CID103582177
Molecular FormulaC14H21BrClN3
Molecular Weight346.70 g/mol
Exact Mass345.06
IUPAC NameN'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
SMILESNCCCN(c1ncc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H21BrClN3/c15-11-9-13(16)14(18-10-11)19(8-4-7-17)12-5-2-1-3-6-12/h9-10,12H,1-8,17H2
InChIKeyZDGRCKPNEZQXLI-UHFFFAOYSA-N
XLogP3.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-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

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
5-bromo-N-(2-bromoethyl)-N-cyclohexyl-3-methylpyridin-2-amine
CID 80677070
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953
3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
CID 62300161
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine (CID 103582177) is N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine is NCCCN(c1ncc(Br)cc1Cl)C1CCCCC1.
What is the InChIKey of N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
The InChIKey is ZDGRCKPNEZQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3/c15-11-9-13(16)14(18-10-11)19(8-4-7-17)12-5-2-1-3-6-12/h9-10,12H,1-8,17H2.
What are the key properties of N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine has a molecular weight of 346.70 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine is sourced from PubChem (CID 103582177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).