3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine

C20H31NO2 — CID 154941105

IUPAC3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine
SMILESCCCCCCC1COCCN1Oc1cccc2c1CCCC2
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-11-18-16-22-15-14-21(18)23-20-13-8-10-17-9-6-7-12-19(17)20/h8,10,13,18H,2-7,9,11-12,14-16H2,1H3
InChIKeySPBOABCMMAHPAX-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.53
Rot. Bonds7

About 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine

3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine (PubChem CID 154941105) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine.

Molecular Properties

Compound Name3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine
PubChem CID154941105
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine
SMILESCCCCCCC1COCCN1Oc1cccc2c1CCCC2
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-11-18-16-22-15-14-21(18)23-20-13-8-10-17-9-6-7-12-19(17)20/h8,10,13,18H,2-7,9,11-12,14-16H2,1H3
InChIKeySPBOABCMMAHPAX-UHFFFAOYSA-N
XLogP4.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine?
The IUPAC name of 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine (CID 154941105) is 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine.
What is the SMILES notation for 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine?
The canonical SMILES for 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine is CCCCCCC1COCCN1Oc1cccc2c1CCCC2.
What is the InChIKey of 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine?
The InChIKey is SPBOABCMMAHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-4-5-11-18-16-22-15-14-21(18)23-20-13-8-10-17-9-6-7-12-19(17)20/h8,10,13,18H,2-7,9,11-12,14-16H2,1H3.
What are the key properties of 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine?
3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine has a molecular weight of 317.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)morpholine is sourced from PubChem (CID 154941105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).