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N-[2-(dimethylamino)-1-phenylethyl]-3-azaspiro[5.5]undecan-9-amine

ChemBase ID: 341462
Molecular Formular: C20H33N3
Molecular Mass: 315.49612
Monoisotopic Mass: 315.26744807
SMILES and InChIs

SMILES:
C(NC1CCC2(CC1)CCNCC2)(CN(C)C)c1ccccc1
Canonical SMILES:
CN(CC(c1ccccc1)NC1CCC2(CC1)CCNCC2)C
InChI:
InChI=1S/C20H33N3/c1-23(2)16-19(17-6-4-3-5-7-17)22-18-8-10-20(11-9-18)12-14-21-15-13-20/h3-7,18-19,21-22H,8-16H2,1-2H3
InChIKey:
OBVSDJSVKBQPRK-UHFFFAOYSA-N

Cite this record

CBID:341462 http://www.chembase.cn/molecule-341462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)-1-phenylethyl]-3-azaspiro[5.5]undecan-9-amine
IUPAC Traditional name
N-[2-(dimethylamino)-1-phenylethyl]-3-azaspiro[5.5]undecan-9-amine
Synonyms
N~1~-3-azaspiro[5.5]undec-9-yl-N~2~,N~2~-dimethyl-1-phenylethane-1,2-diamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14022994 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 3.4 
LOG S -3.4  Polar Surface Area 27.3 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -4.36637 
LogD (pH = 7.4) -2.303764  Log P 2.8563988 
Molar Refractivity 98.2634 cm3 Polarizability 39.302353 Å3
Polar Surface Area 27.3 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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