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1060806-24-7 molecular structure
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[1-(2-methylpyridin-3-yl)cyclopropyl]methanamine

ChemBase ID: 814710
Molecular Formular: C10H14N2
Molecular Mass: 162.23156
Monoisotopic Mass: 162.11569846
SMILES and InChIs

SMILES:
C(N)C1(CC1)c1c(nccc1)C
Canonical SMILES:
NCC1(CC1)c1cccnc1C
InChI:
InChI=1S/C10H14N2/c1-8-9(3-2-6-12-8)10(7-11)4-5-10/h2-3,6H,4-5,7,11H2,1H3
InChIKey:
AZCUEMOZWQYSGJ-UHFFFAOYSA-N

Cite this record

CBID:814710 http://www.chembase.cn/molecule-814710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(2-methylpyridin-3-yl)cyclopropyl]methanamine
IUPAC Traditional name
[1-(2-methylpyridin-3-yl)cyclopropyl]methanamine
Synonyms
(1-(2-methylpyridin-3-yl)cyclopropyl)methanamine
CAS Number
1060806-24-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36936 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36936 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) -2.4307926  LogD (pH = 7.4) -1.3983916 
Log P 0.58062094  Molar Refractivity 48.7885 cm3
Polarizability 19.292501 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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