Dicyclohexylammonium

HCID 3770554

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: C1CCC([NH2+]C2CCCCC2)CC1
InChIKey: XBPCUCUWBYBCDP-UHFFFAOYSA-O
Molecular formula: C12H24N+
Average molar mass: 182.33 g/mol

Names & identifiers

Preferred name: Dicyclohexylammonium
IUPAC: dicyclohexylazanium

Names & synonyms

dicyclohexylammoniumRefChem:920123dicyclohexylazaniumXBPCUCUWBYBCDP-UHFFFAOYSA-O

Database identifiers

PubChem CID: 3770554
Nikkaji: J1.422.372J

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 16.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 1
Complexity: 116

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Related reactions

14 records

New reaction record

HRID 105585As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124370As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 148104As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 166052As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 204423As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 207030As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 231537As reactantuspto-grants-1989_07

HRID 306175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…