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MFCD11629602 molecular structure
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3-[(cyclobutylmethyl)amino]propanenitrile

ChemBase ID: 270508
Molecular Formular: C8H14N2
Molecular Mass: 138.21016
Monoisotopic Mass: 138.11569846
SMILES and InChIs

SMILES:
N#CCCNCC1CCC1
Canonical SMILES:
N#CCCNCC1CCC1
InChI:
InChI=1S/C8H14N2/c9-5-2-6-10-7-8-3-1-4-8/h8,10H,1-4,6-7H2
InChIKey:
SARFCDTUMALQJM-UHFFFAOYSA-N

Cite this record

CBID:270508 http://www.chembase.cn/molecule-270508.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(cyclobutylmethyl)amino]propanenitrile
IUPAC Traditional name
3-[(cyclobutylmethyl)amino]propanenitrile
Synonyms
3-[(cyclobutylmethyl)amino]propanenitrile
MDL Number
MFCD11629602
PubChem SID
164326418
PubChem CID
43275364

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69416 external link Add to cart Please log in.
Data Source Data ID
PubChem 43275364 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8608644  LogD (pH = 7.4) -0.14355654 
Log P 0.8052124  Molar Refractivity 40.9997 cm3
Polarizability 16.10553 Å3 Polar Surface Area 35.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.815 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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