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MFCD16824860 molecular structure
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2-(propan-2-yl)cyclohexan-1-amine

ChemBase ID: 270265
Molecular Formular: C9H19N
Molecular Mass: 141.25386
Monoisotopic Mass: 141.15174961
SMILES and InChIs

SMILES:
C1(C(N)CCCC1)C(C)C
Canonical SMILES:
CC(C1CCCCC1N)C
InChI:
InChI=1S/C9H19N/c1-7(2)8-5-3-4-6-9(8)10/h7-9H,3-6,10H2,1-2H3
InChIKey:
IUUHHWALHWRYPY-UHFFFAOYSA-N

Cite this record

CBID:270265 http://www.chembase.cn/molecule-270265.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(propan-2-yl)cyclohexan-1-amine
IUPAC Traditional name
2-isopropylcyclohexan-1-amine
Synonyms
2-(propan-2-yl)cyclohexan-1-amine
MDL Number
MFCD16824860
PubChem SID
164326175
PubChem CID
13115358

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69059 external link Add to cart Please log in.
Data Source Data ID
PubChem 13115358 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.75792706  LogD (pH = 7.4) -0.487345 
Log P 2.2703722  Molar Refractivity 44.5542 cm3
Polarizability 18.13941 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.814 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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