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MFCD11116456 molecular structure
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dimethyl({3-[(pyridin-4-yl)amino]propyl})amine

ChemBase ID: 270062
Molecular Formular: C10H17N3
Molecular Mass: 179.26208
Monoisotopic Mass: 179.14224756
SMILES and InChIs

SMILES:
n1ccc(NCCCN(C)C)cc1
Canonical SMILES:
CN(CCCNc1ccncc1)C
InChI:
InChI=1S/C10H17N3/c1-13(2)9-3-6-12-10-4-7-11-8-5-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,11,12)
InChIKey:
CKKOCTLMWIAVJE-UHFFFAOYSA-N

Cite this record

CBID:270062 http://www.chembase.cn/molecule-270062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({3-[(pyridin-4-yl)amino]propyl})amine
IUPAC Traditional name
dimethyl[3-(pyridin-4-ylamino)propyl]amine
Synonyms
dimethyl[3-(pyridin-4-ylamino)propyl]amine
MDL Number
MFCD11116456
PubChem SID
164325972
PubChem CID
24774454

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68738 external link Add to cart Please log in.
Data Source Data ID
PubChem 24774454 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.0315356  LogD (pH = 7.4) -2.5508766 
Log P 0.30695578  Molar Refractivity 56.9794 cm3
Polarizability 21.31076 Å3 Polar Surface Area 28.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.649 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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