N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine

C11H18BrN3 — CID 114868959

IUPACN'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-3-15(6-4-5-13)11-7-9(2)10(12)8-14-11/h7-8H,3-6,13H2,1-2H3
InChIKeyLDPWDLFHWRXGDU-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.33
Rot. Bonds5

About N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine

N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine (PubChem CID 114868959) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
PubChem CID114868959
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-3-15(6-4-5-13)11-7-9(2)10(12)8-14-11/h7-8H,3-6,13H2,1-2H3
InChIKeyLDPWDLFHWRXGDU-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
5-bromo-N-ethyl-4-methyl-N-phenylpyridin-2-amine
CID 114870215
5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869981

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine (CID 114868959) is N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1cc(C)c(Br)cn1.
What is the InChIKey of N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is LDPWDLFHWRXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-15(6-4-5-13)11-7-9(2)10(12)8-14-11/h7-8H,3-6,13H2,1-2H3.
What are the key properties of N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine?
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 114868959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).