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1060806-38-3 molecular structure
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2-methyl-2-(6-methylpyridin-3-yl)propan-1-amine

ChemBase ID: 814725
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
C(C(C)(c1cnc(cc1)C)C)N
Canonical SMILES:
NCC(c1ccc(nc1)C)(C)C
InChI:
InChI=1S/C10H16N2/c1-8-4-5-9(6-12-8)10(2,3)7-11/h4-6H,7,11H2,1-3H3
InChIKey:
ARDQEEVWXWZZGI-UHFFFAOYSA-N

Cite this record

CBID:814725 http://www.chembase.cn/molecule-814725.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2-(6-methylpyridin-3-yl)propan-1-amine
IUPAC Traditional name
2-methyl-2-(6-methylpyridin-3-yl)propan-1-amine
Synonyms
2-methyl-2-(6-methylpyridin-3-yl)propan-1-amine
CAS Number
1060806-38-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36951 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36951 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) -1.9669538  LogD (pH = 7.4) -0.9566908 
Log P 1.0443469  Molar Refractivity 50.5907 cm3
Polarizability 20.03144 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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