ISDA: 5QPH

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: LUS

IUPAC Name: 4-(4-ethylcyclohexyl)morpholine

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: C1CCC(N2CCOCC2)CC1

InChI: InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2

InChI Key: BRKHZWFIIVVNTA-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C12 H23 N O

Molecular weight: 197.317

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 3

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	4-(4-ethylcyclohexyl)morpholine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-
InChIKey	InChI	1.03	UXPACUHPXVTRQE-HAQNSBGRSA-N
SMILES_CANONICAL	CACTVS	3.385	CC[C@H]1CC[C@@H](CC1)N2CCOCC2
SMILES	CACTVS	3.385	CC[CH]1CC[CH](CC1)N2CCOCC2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCC1CCC(CC1)N2CCOCC2
SMILES	OpenEye OEToolkits	2.0.6	CCC1CCC(CC1)N2CCOCC2

Chemical Database Mapping

Database	Reference ID
SureChEMBL	SCHEMBL10191543