N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine

C10H16FN — CID 143707407

IUPACN-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C/CC(C)(C)F
InChIInChI=1S/C10H16FN/c1-9(8-12-4)6-5-7-10(2,3)11/h5-6,8H,4,7H2,1-3H3/b6-5-,9-8-
InChIKeyZOZTXKQIWJLYCJ-AFJQJTPPSA-N
MW169.24 g/mol
LogP3.29
Rot. Bonds4

About N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine

N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine (PubChem CID 143707407) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine
PubChem CID143707407
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C/CC(C)(C)F
InChIInChI=1S/C10H16FN/c1-9(8-12-4)6-5-7-10(2,3)11/h5-6,8H,4,7H2,1-3H3/b6-5-,9-8-
InChIKeyZOZTXKQIWJLYCJ-AFJQJTPPSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.29
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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Related Compounds

N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3Z)-3-tert-butyl-4-fluoropenta-1,3-dienyl]methanimine
CID 129156639
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
CID 130347406
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine (CID 143707407) is N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine is C=N/C=C(C)\C=C/CC(C)(C)F.
What is the InChIKey of N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine?
The InChIKey is ZOZTXKQIWJLYCJ-AFJQJTPPSA-N. The full InChI is InChI=1S/C10H16FN/c1-9(8-12-4)6-5-7-10(2,3)11/h5-6,8H,4,7H2,1-3H3/b6-5-,9-8-.
What are the key properties of N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine has a molecular weight of 169.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine is sourced from PubChem (CID 143707407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).