(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine

C18H27NO — CID 162411500

IUPAC(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine
SMILESCCCCCC[C@H]1COC[C@@H](/C=C/c2ccccc2)N1
InChIInChI=1S/C18H27NO/c1-2-3-4-8-11-17-14-20-15-18(19-17)13-12-16-9-6-5-7-10-16/h5-7,9-10,12-13,17-19H,2-4,8,11,14-15H2,1H3/b13-12+/t17-,18+/m0/s1
InChIKeyAXJPROFZUXVNOC-UCMOUWFMSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds7

About (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine

(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine (PubChem CID 162411500) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine.

Molecular Properties

Compound Name(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine
PubChem CID162411500
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine
SMILESCCCCCC[C@H]1COC[C@@H](/C=C/c2ccccc2)N1
InChIInChI=1S/C18H27NO/c1-2-3-4-8-11-17-14-20-15-18(19-17)13-12-16-9-6-5-7-10-16/h5-7,9-10,12-13,17-19H,2-4,8,11,14-15H2,1H3/b13-12+/t17-,18+/m0/s1
InChIKeyAXJPROFZUXVNOC-UCMOUWFMSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]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 (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine?
The IUPAC name of (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine (CID 162411500) is (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine.
What is the SMILES notation for (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine?
The canonical SMILES for (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine is CCCCCC[C@H]1COC[C@@H](/C=C/c2ccccc2)N1.
What is the InChIKey of (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine?
The InChIKey is AXJPROFZUXVNOC-UCMOUWFMSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-8-11-17-14-20-15-18(19-17)13-12-16-9-6-5-7-10-16/h5-7,9-10,12-13,17-19H,2-4,8,11,14-15H2,1H3/b13-12+/t17-,18+/m0/s1.
What are the key properties of (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine?
(3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-hexyl-5-[(E)-2-phenylethenyl]morpholine is sourced from PubChem (CID 162411500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).