N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine

C10H16FN — CID 123854276

IUPACN-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
SMILESC=C/C(F)=C\N=C(/C)C(C)CC
InChIInChI=1S/C10H16FN/c1-5-8(3)9(4)12-7-10(11)6-2/h6-8H,2,5H2,1,3-4H3/b10-7+,12-9+
InChIKeyMUYNAUOFKRAZML-NWABJRNTSA-N
MW169.24 g/mol
LogP3.49
Rot. Bonds4

About N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine

N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine (PubChem CID 123854276) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine.

Molecular Properties

Compound NameN-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
PubChem CID123854276
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
SMILESC=C/C(F)=C\N=C(/C)C(C)CC
InChIInChI=1S/C10H16FN/c1-5-8(3)9(4)12-7-10(11)6-2/h6-8H,2,5H2,1,3-4H3/b10-7+,12-9+
InChIKeyMUYNAUOFKRAZML-NWABJRNTSA-N
XLogP3.49
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 ≤ 53.49
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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Related Compounds

N-[(1E)-2-fluorobuta-1,3-dienyl]-3,3-dimethylbutan-2-imine
CID 138751979
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylbutan-2-imine
CID 170732083
1,1,1-trifluoro-3-methyl-N-[(Z)-3-methylidenepent-1-enyl]pentan-2-imine
CID 174202549
N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
CID 168972303
3-methyl-N-[(Z)-4,4,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
CID 170710133
N-[(1E)-2-fluorobuta-1,3-dienyl]butan-2-imine
CID 171644040
N-[(1E)-2-fluorobuta-1,3-dienyl]-7-methyl-4-propylnonan-3-imine
CID 177980100
3-Ethylpentan-2-ylidene-methyl-prop-1-enylazanium
CID 123811659
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
N-[(1Z)-buta-1,3-dienyl]-3-methylbutan-2-imine
CID 129119752
N-[(1Z)-buta-1,3-dienyl]-3-methylpentan-2-imine
CID 130238948

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine?
The IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine (CID 123854276) is N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine.
What is the SMILES notation for N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine?
The canonical SMILES for N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine is C=C/C(F)=C\N=C(/C)C(C)CC.
What is the InChIKey of N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine?
The InChIKey is MUYNAUOFKRAZML-NWABJRNTSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-8(3)9(4)12-7-10(11)6-2/h6-8H,2,5H2,1,3-4H3/b10-7+,12-9+.
What are the key properties of N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine?
N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine has a molecular weight of 169.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine is sourced from PubChem (CID 123854276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).