5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine

C13H22ClN3 — CID 62891142

IUPAC5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(CN(C)C(C)C(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-9(2)10(3)17(5)8-12-11(14)6-7-13(15-4)16-12/h6-7,9-10H,8H2,1-5H3,(H,15,16)
InChIKeyVQTROJJPLQUPAI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine

5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine (PubChem CID 62891142) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
PubChem CID62891142
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(CN(C)C(C)C(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-9(2)10(3)17(5)8-12-11(14)6-7-13(15-4)16-12/h6-7,9-10H,8H2,1-5H3,(H,15,16)
InChIKeyVQTROJJPLQUPAI-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 55127729
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,3-dimethylbutan-2-amine
CID 62892495
5-chloro-6-[(dipropylamino)methyl]-N-methylpyridin-2-amine
CID 62891120
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62891652
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]ethanol
CID 62890436
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
CID 55127400
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 62890643
5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62891685
5-chloro-N-methyl-6-(2-methylpropoxymethyl)pyridin-2-amine
CID 62886167
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-1-cyclopropyl-N-methylethanamine
CID 62891307
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine (CID 62891142) is 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine is CNc1ccc(Cl)c(CN(C)C(C)C(C)C)n1.
What is the InChIKey of 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The InChIKey is VQTROJJPLQUPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-9(2)10(3)17(5)8-12-11(14)6-7-13(15-4)16-12/h6-7,9-10H,8H2,1-5H3,(H,15,16).
What are the key properties of 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62891142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).