N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine

C15H22FN — CID 123150964

IUPACN-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
SMILESC=NC(=C(C)C(=C)C(C)=CC=C(C)F)C(C)C
InChIInChI=1S/C15H22FN/c1-10(2)15(17-7)14(6)13(5)11(3)8-9-12(4)16/h8-10H,5,7H2,1-4,6H3
InChIKeyCLSCLHHZMZNJJN-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.99
Rot. Bonds5

About N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine

N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine (PubChem CID 123150964) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine.

Molecular Properties

Compound NameN-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
PubChem CID123150964
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
SMILESC=NC(=C(C)C(=C)C(C)=CC=C(C)F)C(C)C
InChIInChI=1S/C15H22FN/c1-10(2)15(17-7)14(6)13(5)11(3)8-9-12(4)16/h8-10H,5,7H2,1-4,6H3
InChIKeyCLSCLHHZMZNJJN-UHFFFAOYSA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine?
The IUPAC name of N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine (CID 123150964) is N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine.
What is the SMILES notation for N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine?
The canonical SMILES for N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine is C=NC(=C(C)C(=C)C(C)=CC=C(C)F)C(C)C.
What is the InChIKey of N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine?
The InChIKey is CLSCLHHZMZNJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10(2)15(17-7)14(6)13(5)11(3)8-9-12(4)16/h8-10H,5,7H2,1-4,6H3.
What are the key properties of N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine?
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine has a molecular weight of 235.35 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine is sourced from PubChem (CID 123150964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).