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N,N-diethyl-3-{[(oxolan-3-ylmethyl)amino]methyl}pyridin-2-amine

ChemBase ID: 510192
Molecular Formular: C15H25N3O
Molecular Mass: 263.3785
Monoisotopic Mass: 263.19976244
SMILES and InChIs

SMILES:
c1(c(CNCC2COCC2)cccn1)N(CC)CC
Canonical SMILES:
CCN(c1ncccc1CNCC1COCC1)CC
InChI:
InChI=1S/C15H25N3O/c1-3-18(4-2)15-14(6-5-8-17-15)11-16-10-13-7-9-19-12-13/h5-6,8,13,16H,3-4,7,9-12H2,1-2H3
InChIKey:
IROZUJWXWKMMRL-UHFFFAOYSA-N

Cite this record

CBID:510192 http://www.chembase.cn/molecule-510192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-3-{[(oxolan-3-ylmethyl)amino]methyl}pyridin-2-amine
IUPAC Traditional name
N,N-diethyl-3-{[(oxolan-3-ylmethyl)amino]methyl}pyridin-2-amine
Synonyms
N,N-diethyl-3-{[(tetrahydro-3-furanylmethyl)amino]methyl}-2-pyridinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40487866 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) -1.4216247  LogD (pH = 7.4) -0.09198526 
Log P 1.7488145  Molar Refractivity 79.9821 cm3
Polarizability 30.473158 Å3 Polar Surface Area 37.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.61  LOG S -1.91 
Polar Surface Area 37.39 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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