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

C15H24BrN3 — CID 79712452

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
SMILESCc1cc(Br)cnc1N(CCCN)C1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-12-10-13(16)11-18-15(12)19(9-5-8-17)14-6-3-2-4-7-14/h10-11,14H,2-9,17H2,1H3
InChIKeyCJAOIKJBMYUKGA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.64
Rot. Bonds5

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

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine (PubChem CID 79712452) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
PubChem CID79712452
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
SMILESCc1cc(Br)cnc1N(CCCN)C1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-12-10-13(16)11-18-15(12)19(9-5-8-17)14-6-3-2-4-7-14/h10-11,14H,2-9,17H2,1H3
InChIKeyCJAOIKJBMYUKGA-UHFFFAOYSA-N
XLogP3.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
N'-(5-bromo-3-chloro-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 103582177
5-bromo-N-(2-bromoethyl)-N-cyclohexyl-3-methylpyridin-2-amine
CID 80677070
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
3-(aminomethyl)-5-bromo-N-cyclohexyl-N-ethylpyridin-2-amine
CID 62300161
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
N-(5-bromo-3-methyl-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79717810
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
2-[3-aminopropyl(cyclopentyl)amino]-4,6-dimethylpyridine-3-carboxamide
CID 60868730
N'-(5-bromopyrimidin-4-yl)-N'-cyclopropylpropane-1,3-diamine
CID 66340953

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine (CID 79712452) is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine is Cc1cc(Br)cnc1N(CCCN)C1CCCCC1.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
The InChIKey is CJAOIKJBMYUKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12-10-13(16)11-18-15(12)19(9-5-8-17)14-6-3-2-4-7-14/h10-11,14H,2-9,17H2,1H3.
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine?
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine has a molecular weight of 326.28 g/mol, XLogP of 3.64, 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-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine is sourced from PubChem (CID 79712452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).