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[4-(azepan-1-yl)butyl][2-methyl-2-(morpholin-4-ylmethyl)propyl]amine

ChemBase ID: 470446
Molecular Formular: C19H39N3O
Molecular Mass: 325.53246
Monoisotopic Mass: 325.30931288
SMILES and InChIs

SMILES:
N1(CC(CNCCCCN2CCCCCC2)(C)C)CCOCC1
Canonical SMILES:
CC(CN1CCOCC1)(CNCCCCN1CCCCCC1)C
InChI:
InChI=1S/C19H39N3O/c1-19(2,18-22-13-15-23-16-14-22)17-20-9-5-8-12-21-10-6-3-4-7-11-21/h20H,3-18H2,1-2H3
InChIKey:
IYAKETNOCMPVEP-UHFFFAOYSA-N

Cite this record

CBID:470446 http://www.chembase.cn/molecule-470446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(azepan-1-yl)butyl][2-methyl-2-(morpholin-4-ylmethyl)propyl]amine
IUPAC Traditional name
[4-(azepan-1-yl)butyl][2-methyl-2-(morpholin-4-ylmethyl)propyl]amine
Synonyms
4-(1-azepanyl)-N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-butanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33955417 external link Add to cart
Data Source Data ID Price
ChemBridge
33955417 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) -4.988249  LogD (pH = 7.4) -3.363885 
Log P 2.5298023  Molar Refractivity 99.6838 cm3
Polarizability 39.561546 Å3 Polar Surface Area 27.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.24  LOG S -3.33 
Polar Surface Area 27.74 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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