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

(2-ethylbutyl)({3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]propyl})amine

ChemBase ID: 341446
Molecular Formular: C16H29N5O2
Molecular Mass: 323.43376
Monoisotopic Mass: 323.23212519
SMILES and InChIs

SMILES:
c1(nnn(c1)CCCNCC(CC)CC)C(=O)N1CCOCC1
Canonical SMILES:
CCC(CNCCCn1nnc(c1)C(=O)N1CCOCC1)CC
InChI:
InChI=1S/C16H29N5O2/c1-3-14(4-2)12-17-6-5-7-21-13-15(18-19-21)16(22)20-8-10-23-11-9-20/h13-14,17H,3-12H2,1-2H3
InChIKey:
KPNPDGOHIXJLMZ-UHFFFAOYSA-N

Cite this record

CBID:341446 http://www.chembase.cn/molecule-341446.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-ethylbutyl)({3-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]propyl})amine
IUPAC Traditional name
(2-ethylbutyl)({3-[4-(morpholine-4-carbonyl)-1,2,3-triazol-1-yl]propyl})amine
Synonyms
(2-ethylbutyl){3-[4-(4-morpholinylcarbonyl)-1H-1,2,3-triazol-1-yl]propyl}amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14020824 external link Add to cart
Data Source Data ID Price
ChemBridge
14020824 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.9234308  LogD (pH = 7.4) -1.6872318 
Log P 1.3145691  Molar Refractivity 101.4287 cm3
Polarizability 34.47657 Å3 Polar Surface Area 72.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.02  LOG S -2.31 
Polar Surface Area 72.28 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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