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6105-74-4 molecular structure
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2-methyl-1-(piperidin-1-yl)propan-2-amine

ChemBase ID: 101746
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1(CC(N)(C)C)CCCCC1
Canonical SMILES:
CC(CN1CCCCC1)(N)C
InChI:
InChI=1S/C9H20N2/c1-9(2,10)8-11-6-4-3-5-7-11/h3-8,10H2,1-2H3
InChIKey:
IMBNEKOMEDCTCL-UHFFFAOYSA-N

Cite this record

CBID:101746 http://www.chembase.cn/molecule-101746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1-(piperidin-1-yl)propan-2-amine
IUPAC Traditional name
2-methyl-1-(piperidin-1-yl)propan-2-amine
Synonyms
2-methyl-1-piperidino-2-propanamine
(1,1-dimethyl-2-piperidin-1-ylethyl)amine
CAS Number
6105-74-4
MDL Number
MFCD05022423
PubChem SID
162088870
PubChem CID
2794702

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794702 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.3893366  LogD (pH = 7.4) -2.2090404 
Log P 0.9407035  Molar Refractivity 49.1369 cm3
Polarizability 19.657892 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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