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

C11H18BrN3 — CID 106879187

IUPAC2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccnc(N(C)C(C)(C)CN)c1Br
InChIInChI=1S/C11H18BrN3/c1-8-5-6-14-10(9(8)12)15(4)11(2,3)7-13/h5-6H,7,13H2,1-4H3
InChIKeyYMZRLAUBUOESCH-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.33
Rot. Bonds3

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

2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 106879187) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID106879187
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccnc(N(C)C(C)(C)CN)c1Br
InChIInChI=1S/C11H18BrN3/c1-8-5-6-14-10(9(8)12)15(4)11(2,3)7-13/h5-6H,7,13H2,1-4H3
InChIKeyYMZRLAUBUOESCH-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

3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
CID 106877136
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 105368853
1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
CID 106543534
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine (CID 106879187) is 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine is Cc1ccnc(N(C)C(C)(C)CN)c1Br.
What is the InChIKey of 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YMZRLAUBUOESCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-5-6-14-10(9(8)12)15(4)11(2,3)7-13/h5-6H,7,13H2,1-4H3.
What are the key properties of 2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(3-bromo-4-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-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 106879187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).