N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine

C10H16FN — CID 129051517

IUPACN-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(C)\C=C(/C)F)C(C)C
InChIInChI=1S/C10H16FN/c1-7(2)10(12-5)8(3)6-9(4)11/h6-7H,5H2,1-4H3/b9-6+,10-8-
InChIKeyBWHMFHBDDGUHML-BXXMFMFASA-N
MW169.24 g/mol
LogP3.49
Rot. Bonds3

About N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine (PubChem CID 129051517) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
PubChem CID129051517
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(C)\C=C(/C)F)C(C)C
InChIInChI=1S/C10H16FN/c1-7(2)10(12-5)8(3)6-9(4)11/h6-7H,5H2,1-4H3/b9-6+,10-8-
InChIKeyBWHMFHBDDGUHML-BXXMFMFASA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.49
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-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine (CID 129051517) is N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine is C=N/C(=C(C)\C=C(/C)F)C(C)C.
What is the InChIKey of N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is BWHMFHBDDGUHML-BXXMFMFASA-N. The full InChI is InChI=1S/C10H16FN/c1-7(2)10(12-5)8(3)6-9(4)11/h6-7H,5H2,1-4H3/b9-6+,10-8-.
What are the key properties of N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine has a molecular weight of 169.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 129051517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).