Results for:
PubChem ID: 558812

N-[2-(3-isothiocyanatophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine

Compound Details

Synonymous names	BSQPQAZWLCMVIC-UHFFFAOYSA-N Benzeneethanamine, 3-isothiocyanato-N-[2.alpha.-[1-tetrahydropyrrolyl]- N-[2-(3-Isothiocyanatophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)cyclohexanamine #
Microorganism:	No
IUPAC name	N-[2-(3-isothiocyanatophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILES	CN(CCC1=CC(=CC=C1)N=C=S)C2CCCCC2N3CCCC3
Inchi	InChI=1S/C20H29N3S/c1-22(14-11-17-7-6-8-18(15-17)21-16-24)19-9-2-3-10-20(19)23-12-4-5-13-23/h6-8,15,19-20H,2-5,9-14H2,1H3
Formula	C20H29N3S
PubChem ID	558812
Molweight	343.5
LogP	5.5
Atoms	24
Bonds	6
H-bond Acceptor	4
H-bond Donor	0
Chemical Classification	amines aromatic compounds benzenoids heterocyclic compounds isothiocyanates nitrogen compounds sulfur compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Flavus Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Flavus inoculated potato samples GC-MS no