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3717-38-2 molecular structure
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N-methyladamantan-1-amine

ChemBase ID: 24953
Molecular Formular: C11H19N
Molecular Mass: 165.27526
Monoisotopic Mass: 165.15174961
SMILES and InChIs

SMILES:
C12(CC3CC(C1)CC(C2)C3)NC
Canonical SMILES:
CNC12CC3CC(C2)CC(C1)C3
InChI:
InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3
InChIKey:
NZOLSRPWNVZXTK-UHFFFAOYSA-N

Cite this record

CBID:24953 http://www.chembase.cn/molecule-24953.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyladamantan-1-amine
IUPAC Traditional name
N-methyladamantan-1-amine
Synonyms
N-1-Adamantyl-N-methylamine
CAS Number
3717-38-2
MDL Number
MFCD01674017
PubChem SID
160988260
PubChem CID
19476

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
027476 external link Add to cart Please log in.
Data Source Data ID
PubChem 19476 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3401213  LogD (pH = 7.4) -1.1342521 
Log P 1.898528  Molar Refractivity 50.3102 cm3
Polarizability 20.35101 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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