7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine

C23H31N — CID 143827875

IUPAC7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine
SMILES[H]/N=C1/C=C2C(CC1)C1CCC3(C=C)C(C)C4CC4C3C1CC21CC1
InChIInChI=1S/C23H31N/c1-3-23-7-6-15-16-5-4-14(24)10-20(16)22(8-9-22)12-19(15)21(23)18-11-17(18)13(23)2/h3,10,13,15-19,21,24H,1,4-9,11-12H2,2H3/b24-14+
InChIKeyZCXXHCRNRMLWRQ-ZVHZXABRSA-N
MW321.51 g/mol
LogP5.63
Rot. Bonds1

About 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine

7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine (PubChem CID 143827875) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine.

Molecular Properties

Compound Name7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine
PubChem CID143827875
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine
SMILES[H]/N=C1/C=C2C(CC1)C1CCC3(C=C)C(C)C4CC4C3C1CC21CC1
InChIInChI=1S/C23H31N/c1-3-23-7-6-15-16-5-4-14(24)10-20(16)22(8-9-22)12-19(15)21(23)18-11-17(18)13(23)2/h3,10,13,15-19,21,24H,1,4-9,11-12H2,2H3/b24-14+
InChIKeyZCXXHCRNRMLWRQ-ZVHZXABRSA-N
XLogP5.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine 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 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine?
The IUPAC name of 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine (CID 143827875) is 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine.
What is the SMILES notation for 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine?
The canonical SMILES for 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine is [H]/N=C1/C=C2C(CC1)C1CCC3(C=C)C(C)C4CC4C3C1CC21CC1.
What is the InChIKey of 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine?
The InChIKey is ZCXXHCRNRMLWRQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H31N/c1-3-23-7-6-15-16-5-4-14(24)10-20(16)22(8-9-22)12-19(15)21(23)18-11-17(18)13(23)2/h3,10,13,15-19,21,24H,1,4-9,11-12H2,2H3/b24-14+.
What are the key properties of 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine?
7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine has a molecular weight of 321.51 g/mol, XLogP of 5.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-ethenyl-6'-methylspiro[cyclopropane-1,17'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-imine is sourced from PubChem (CID 143827875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).