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[(4,6-dimethylpyridin-2-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine

ChemBase ID: 320129
Molecular Formular: C17H23N3
Molecular Mass: 269.38462
Monoisotopic Mass: 269.18919775
SMILES and InChIs

SMILES:
n1c(CN(Cc2ncc(cc2)CC)C)cc(cc1C)C
Canonical SMILES:
CCc1ccc(nc1)CN(Cc1cc(C)cc(n1)C)C
InChI:
InChI=1S/C17H23N3/c1-5-15-6-7-16(18-10-15)11-20(4)12-17-9-13(2)8-14(3)19-17/h6-10H,5,11-12H2,1-4H3
InChIKey:
IBLADHNZFGIYHC-UHFFFAOYSA-N

Cite this record

CBID:320129 http://www.chembase.cn/molecule-320129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4,6-dimethylpyridin-2-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine
IUPAC Traditional name
[(4,6-dimethylpyridin-2-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine
Synonyms
1-(4,6-dimethylpyridin-2-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 10965248 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.2128506  LogD (pH = 7.4) 2.945932 
Log P 2.9694963  Molar Refractivity 83.13 cm3
Polarizability 32.340496 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.77  LOG S -1.22 
Polar Surface Area 29.02 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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