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N-[3-(dimethylamino)propyl]-N-methylpiperidin-3-amine

ChemBase ID: 460112
Molecular Formular: C11H25N3
Molecular Mass: 199.3363
Monoisotopic Mass: 199.20484782
SMILES and InChIs

SMILES:
N1CC(N(CCCN(C)C)C)CCC1
Canonical SMILES:
CN(CCCN(C1CCCNC1)C)C
InChI:
InChI=1S/C11H25N3/c1-13(2)8-5-9-14(3)11-6-4-7-12-10-11/h11-12H,4-10H2,1-3H3
InChIKey:
LJFNAECBFBZNLX-UHFFFAOYSA-N

Cite this record

CBID:460112 http://www.chembase.cn/molecule-460112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(dimethylamino)propyl]-N-methylpiperidin-3-amine
IUPAC Traditional name
N-[3-(dimethylamino)propyl]-N-methylpiperidin-3-amine
Synonyms
N,N,N'-trimethyl-N'-3-piperidinyl-1,3-propanediamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 32286166 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) -6.266119  LogD (pH = 7.4) -4.32816 
Log P 0.36993486  Molar Refractivity 62.8082 cm3
Polarizability 24.87069 Å3 Polar Surface Area 18.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.51  LOG S -0.08 
Polar Surface Area 18.51 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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