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

C11H18BrN3 — CID 105368853

IUPAC2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1cnc(N(C)C(C)(C)CN)c(Br)c1
InChIInChI=1S/C11H18BrN3/c1-8-5-9(12)10(14-6-8)15(4)11(2,3)7-13/h5-6H,7,13H2,1-4H3
InChIKeySUXJDSGXJSJTES-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.33
Rot. Bonds3

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

2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 105368853) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID105368853
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1cnc(N(C)C(C)(C)CN)c(Br)c1
InChIInChI=1S/C11H18BrN3/c1-8-5-9(12)10(14-6-8)15(4)11(2,3)7-13/h5-6H,7,13H2,1-4H3
InChIKeySUXJDSGXJSJTES-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 106879187
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500
3-bromo-N-cyclohexyl-N,5-dimethylpyridin-2-amine
CID 105367626
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105367746
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683
5-bromo-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 66319986
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine (CID 105368853) is 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine is Cc1cnc(N(C)C(C)(C)CN)c(Br)c1.
What is the InChIKey of 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is SUXJDSGXJSJTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-5-9(12)10(14-6-8)15(4)11(2,3)7-13/h5-6H,7,13H2,1-4H3.
What are the key properties of 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 105368853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).