HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

tert-butyl N-[4-(azetidin-1-yl)cyclohexyl]carbamate

HCID 68684591
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1CCC(N2CCC2)CC1
InChIKey
QWTYQDJWCKQORR-UHFFFAOYSA-N
Molecular formula
C14H26N2O2
Average molar mass
254.37 g/mol

Names & identifiers

Preferred name
tert-butyl N-[4-(azetidin-1-yl)cyclohexyl]carbamate
IUPAC
tert-butyl N-[4-(azetidin-1-yl)cyclohexyl]carbamate

Names & synonyms

SCHEMBL3545803SCHEMBL20438259QWTYQDJWCKQORR-UHFFFAOYSA-Ntert-butyl N-[4-(azetidin-1-yl)cyclohexyl]carbamate

Database identifiers

PubChem CID
68684591

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
287

Related reactions

4 records
New reaction record
HRID 1136454 reaction equation
HRID 1136454As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2234493 reaction equation
HRID 2234493As reactantuspto-grants-2010_05
HRID 2234494 reaction equation
HRID 2234494As productuspto-grants-2010_05
HRID 2234501 reaction equation
HRID 2234501As reactantuspto-grants-2010_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes