tert-butyl azacyclopentadecane-1-carboxylate

C19H37NO2 — CID 11771344

IUPACtert-butyl azacyclopentadecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCCCCCCCCCCC1
InChIInChI=1S/C19H37NO2/c1-19(2,3)22-18(21)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20/h4-17H2,1-3H3
InChIKeyJQIURHJBGUFFLY-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.92
Rot. Bonds

About tert-butyl azacyclopentadecane-1-carboxylate

tert-butyl azacyclopentadecane-1-carboxylate (PubChem CID 11771344) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is tert-butyl azacyclopentadecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl azacyclopentadecane-1-carboxylate
PubChem CID11771344
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Nametert-butyl azacyclopentadecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCCCCCCCCCCC1
InChIInChI=1S/C19H37NO2/c1-19(2,3)22-18(21)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20/h4-17H2,1-3H3
InChIKeyJQIURHJBGUFFLY-UHFFFAOYSA-N
XLogP5.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl 4-alumanyl-1,4-diazepane-1-carboxylate
CID 154554278
(1-amino-1-fluoroethyl) piperidine-1-carboxylate
CID 156636522

Frequently Asked Questions

What is the IUPAC name of tert-butyl azacyclopentadecane-1-carboxylate?
The IUPAC name of tert-butyl azacyclopentadecane-1-carboxylate (CID 11771344) is tert-butyl azacyclopentadecane-1-carboxylate.
What is the SMILES notation for tert-butyl azacyclopentadecane-1-carboxylate?
The canonical SMILES for tert-butyl azacyclopentadecane-1-carboxylate is CC(C)(C)OC(=O)N1CCCCCCCCCCCCCC1.
What is the InChIKey of tert-butyl azacyclopentadecane-1-carboxylate?
The InChIKey is JQIURHJBGUFFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-19(2,3)22-18(21)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20/h4-17H2,1-3H3.
What are the key properties of tert-butyl azacyclopentadecane-1-carboxylate?
tert-butyl azacyclopentadecane-1-carboxylate has a molecular weight of 311.51 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl azacyclopentadecane-1-carboxylate is sourced from PubChem (CID 11771344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).