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

1-(Chloromethyl)cyclopentan-1-amine

HCID 18316262
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1(CCl)CCCC1
InChIKey
DSFHEYAUONDMFV-UHFFFAOYSA-N
Molecular formula
C6H12ClN
Average molar mass
133.62 g/mol

Names & identifiers

Preferred name
1-(Chloromethyl)cyclopentan-1-amine
IUPAC
1-(chloromethyl)cyclopentan-1-amine

Names & synonyms

SCHEMBL7864044

Database identifiers

PubChem CID
18316262

Properties

Computed structural properties

XLogP
1
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
76.6

Related reactions

9 records
New reaction record
HRID 145210 reaction equation
HRID 145210As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 189953 reaction equation
HRID 189953As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 685132 reaction equation
HRID 685132As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 955981 reaction equation
HRID 955981As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1217221 reaction equation
HRID 1217221As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1551283 reaction equation
HRID 1551283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1556955 reaction equation
HRID 1556955As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1573173 reaction equation
HRID 1573173As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes