Home > Compound List > Compound details
164266240 molecular structure
click picture or here to close

(5s,7s)-5,7-dipropyl-2-(pyridin-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

ChemBase ID: 210330
Molecular Formular: C19H29N3O
Molecular Mass: 315.45306
Monoisotopic Mass: 315.23106256
SMILES and InChIs

SMILES:
[C@]12(C([C@@]3(CN(C(N(C3)C1)c1ncccc1)C2)CCC)O)CCC
Canonical SMILES:
CCC[C@]12CN3C[C@@](C2O)(CN(C1)C3c1ccccn1)CCC
InChI:
InChI=1S/C19H29N3O/c1-3-8-18-11-21-13-19(9-4-2,17(18)23)14-22(12-18)16(21)15-7-5-6-10-20-15/h5-7,10,16-17,23H,3-4,8-9,11-14H2,1-2H3/t16?,17?,18-,19+
InChIKey:
RPFLDKSAFZBPKJ-YHFFBGSDSA-N

Cite this record

CBID:210330 http://www.chembase.cn/molecule-210330.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5s,7s)-5,7-dipropyl-2-(pyridin-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
IUPAC Traditional name
(1r,5R,7S)-5,7-dipropyl-2-(pyridin-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
PubChem SID
164266240
PubChem CID
1791316

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1791316 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.152726  H Acceptors
H Donor LogD (pH = 5.5) 2.5474815 
LogD (pH = 7.4) 2.7112014  Log P 2.7137454 
Molar Refractivity 91.5205 cm3 Polarizability 36.701153 Å3
Polar Surface Area 39.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle