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1060806-42-9 molecular structure
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2-methyl-2-(2-methylpyridin-4-yl)propan-1-amine

ChemBase ID: 814726
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
C(C(C)(c1cc(ncc1)C)C)N
Canonical SMILES:
NCC(c1ccnc(c1)C)(C)C
InChI:
InChI=1S/C10H16N2/c1-8-6-9(4-5-12-8)10(2,3)7-11/h4-6H,7,11H2,1-3H3
InChIKey:
XYOQJUIYDGDRHW-UHFFFAOYSA-N

Cite this record

CBID:814726 http://www.chembase.cn/molecule-814726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2-(2-methylpyridin-4-yl)propan-1-amine
IUPAC Traditional name
2-methyl-2-(2-methylpyridin-4-yl)propan-1-amine
Synonyms
2-methyl-2-(2-methylpyridin-4-yl)propan-1-amine
CAS Number
1060806-42-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36952 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36952 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5532637  LogD (pH = 7.4) -0.9891722 
Log P 1.0443469  Molar Refractivity 50.5907 cm3
Polarizability 20.030407 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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