N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine

C17H24FN — CID 123854580

IUPACN-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
SMILESC=C(C)C(=C\N=C(C)C)/C=C(C)\C(C)=C\C(F)=CC
InChIInChI=1S/C17H24FN/c1-8-17(18)10-15(7)14(6)9-16(12(2)3)11-19-13(4)5/h8-11H,2H2,1,3-7H3/b14-9+,15-10+,16-11-,17-8?
InChIKeyCEHQWAAELSJMDC-USPNZFCWSA-N
MW261.38 g/mol
LogP5.69
Rot. Bonds5

About N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine

N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine (PubChem CID 123854580) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
PubChem CID123854580
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
SMILESC=C(C)C(=C\N=C(C)C)/C=C(C)\C(C)=C\C(F)=CC
InChIInChI=1S/C17H24FN/c1-8-17(18)10-15(7)14(6)9-16(12(2)3)11-19-13(4)5/h8-11H,2H2,1,3-7H3/b14-9+,15-10+,16-11-,17-8?
InChIKeyCEHQWAAELSJMDC-USPNZFCWSA-N
XLogP5.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.38
LogP ≤ 55.69
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-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine?
The IUPAC name of N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine (CID 123854580) is N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine.
What is the SMILES notation for N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine?
The canonical SMILES for N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine is C=C(C)C(=C\N=C(C)C)/C=C(C)\C(C)=C\C(F)=CC.
What is the InChIKey of N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine?
The InChIKey is CEHQWAAELSJMDC-USPNZFCWSA-N. The full InChI is InChI=1S/C17H24FN/c1-8-17(18)10-15(7)14(6)9-16(12(2)3)11-19-13(4)5/h8-11H,2H2,1,3-7H3/b14-9+,15-10+,16-11-,17-8?.
What are the key properties of N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine?
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine has a molecular weight of 261.38 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine is sourced from PubChem (CID 123854580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).