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

Bis(cyclohexylmethyl)amine

HCID 4594378
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3309-27-1
Standard SMILES
C1CCC(CNCC2CCCCC2)CC1
InChIKey
JLURWBIBHMXAHE-UHFFFAOYSA-N
Molecular formula
C14H27N
Average molar mass
209.37 g/mol
Monoisotopic mass
209.21434986

Names & identifiers

Preferred name
Bis(cyclohexylmethyl)amine
IUPAC
1-cyclohexyl-N-(cyclohexylmethyl)methanamine

Names & synonyms

bis(cyclohexylmethyl)amine3309-27-1DTXSID90404679RefChem:329835DTXCID103555331-cyclohexyl-N-(cyclohexylmethyl)methanamineN,N-dicylohexylmethylamineN,N-di-cyclohexylmethylamineN,N-dicyclo-hexylmethylamineSCHEMBL1679031SCHEMBL1679033JLURWBIBHMXAHE-UHFFFAOYSA-N
Show more names
DAA30927AKOS009007127cyclohexyl-N-(cyclohexylmethyl)methanamineEN300-54592Z90509538

Database identifiers

CAS
3309-27-1
PubChem CID
4594378
DTXSID
DTXSID90404679
Nikkaji
J405.738D

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
137

Related reactions

67 records
New reaction record
HRID 84941 reaction equation
HRID 84941As reactantuspto-grants-2014_09
HRID 84950 reaction equation
HRID 84950As reactantuspto-grants-2014_09
HRID 84982 reaction equation
HRID 84982As reactantuspto-grants-2014_09
HRID 291777 reaction equation
HRID 291777As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 292368 reaction equation
HRID 292368As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 405785 reaction equation
HRID 405785As reactantuspto-grants-2014_06
HRID 405812 reaction equation
HRID 405812As reactantuspto-grants-2014_06
HRID 410255 reaction equation
HRID 410255As reactantuspto-grants-2014_06
Page 1 of 9

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes