(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine

C18H26FN — CID 146660440

IUPAC(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine
SMILESCC[C@@H](F)CCC(C)CCC/C=N/C1=CC=CC2C=C12
InChIInChI=1S/C18H26FN/c1-3-16(19)11-10-14(2)7-4-5-12-20-18-9-6-8-15-13-17(15)18/h6,8-9,12-16H,3-5,7,10-11H2,1-2H3/b20-12+/t14?,15?,16-/m1/s1
InChIKeyMJLNGBFPHJBPFH-KKYNLLAESA-N
MW275.41 g/mol
LogP5.40
Rot. Bonds9

About (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine

(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine (PubChem CID 146660440) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine.

Molecular Properties

Compound Name(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine
PubChem CID146660440
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine
SMILESCC[C@@H](F)CCC(C)CCC/C=N/C1=CC=CC2C=C12
InChIInChI=1S/C18H26FN/c1-3-16(19)11-10-14(2)7-4-5-12-20-18-9-6-8-15-13-17(15)18/h6,8-9,12-16H,3-5,7,10-11H2,1-2H3/b20-12+/t14?,15?,16-/m1/s1
InChIKeyMJLNGBFPHJBPFH-KKYNLLAESA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine?
The IUPAC name of (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine (CID 146660440) is (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine.
What is the SMILES notation for (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine?
The canonical SMILES for (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine is CC[C@@H](F)CCC(C)CCC/C=N/C1=CC=CC2C=C12.
What is the InChIKey of (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine?
The InChIKey is MJLNGBFPHJBPFH-KKYNLLAESA-N. The full InChI is InChI=1S/C18H26FN/c1-3-16(19)11-10-14(2)7-4-5-12-20-18-9-6-8-15-13-17(15)18/h6,8-9,12-16H,3-5,7,10-11H2,1-2H3/b20-12+/t14?,15?,16-/m1/s1.
What are the key properties of (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine?
(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine has a molecular weight of 275.41 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine is sourced from PubChem (CID 146660440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).