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351329-88-9 molecular structure
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N-[(1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl]formamide

ChemBase ID: 169414
Molecular Formular: C13H21NO
Molecular Mass: 207.31194
Monoisotopic Mass: 207.1623143
SMILES and InChIs

SMILES:
[C@]12(C[C@H]3C[C@@](C1)(C[C@@](C2)(C3)NC=O)C)C
Canonical SMILES:
O=CN[C@]12C[C@H]3C[C@@](C2)(C[C@@](C1)(C3)C)C
InChI:
InChI=1S/C13H21NO/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h9-10H,3-8H2,1-2H3,(H,14,15)/t10-,11+,12-,13-
InChIKey:
NYQWYYMEIBHRSB-WNGYAQOMSA-N

Cite this record

CBID:169414 http://www.chembase.cn/molecule-169414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl]formamide
IUPAC Traditional name
N-[(1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl]formamide
Synonyms
N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)formamide
1-Formylamino-3,5-dimethyladamantane
N-(3,5-Dimethyladamantan-1-yl)formamide
N-Formyl Memantine
CAS Number
351329-88-9
PubChem SID
162263546
PubChem CID
7071577

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F700740 external link Add to cart
PubChem 7071577 external link
Data Source Data ID Price
TRC
F700740 external link Add to cart Please log in.
Data Source Data ID
PubChem 7071577 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.247177  H Acceptors
H Donor LogD (pH = 5.5) 1.8361846 
LogD (pH = 7.4) 1.8361896  Log P 1.8361896 
Molar Refractivity 59.4391 cm3 Polarizability 23.693762 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F700740 external link
N-Formyl Memantine is an impurity of Memantine (M218000). Memantine impurity E per USP.

REFERENCES

REFERENCES

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  • • Gerzon, K., et al.: J. Med. Chem., 6, 760 (1963)
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PATENTS

PATENTS

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INTERNET

INTERNET

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