N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine

C10H16FN — CID 168972313

IUPACN-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
SMILESC=C(C)/C(F)=C\N=C(/C)CCC
InChIInChI=1S/C10H16FN/c1-5-6-9(4)12-7-10(11)8(2)3/h7H,2,5-6H2,1,3-4H3/b10-7+,12-9+
InChIKeyUXWNYILVXURSOV-NWABJRNTSA-N
MW169.24 g/mol
LogP3.63
Rot. Bonds4

About N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine

N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine (PubChem CID 168972313) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine.

Molecular Properties

Compound NameN-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
PubChem CID168972313
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
SMILESC=C(C)/C(F)=C\N=C(/C)CCC
InChIInChI=1S/C10H16FN/c1-5-6-9(4)12-7-10(11)8(2)3/h7H,2,5-6H2,1,3-4H3/b10-7+,12-9+
InChIKeyUXWNYILVXURSOV-NWABJRNTSA-N
XLogP3.63
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 ≤ 53.63
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-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-ethyl-1-fluoro-4-methylpent-4-en-2-imine
CID 134534231
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
CID 145484252
ethane;1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731310
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
ethane;N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 172242050
(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
CID 174319468
1,1,1-trifluoro-N-[(Z)-2-methylbut-1-enyl]propan-2-imine
CID 143508841
N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]pentan-2-imine
CID 168972297
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]pentan-2-imine
CID 168972507
N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
CID 168972591

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine?
The IUPAC name of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine (CID 168972313) is N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine.
What is the SMILES notation for N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine?
The canonical SMILES for N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine is C=C(C)/C(F)=C\N=C(/C)CCC.
What is the InChIKey of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine?
The InChIKey is UXWNYILVXURSOV-NWABJRNTSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-6-9(4)12-7-10(11)8(2)3/h7H,2,5-6H2,1,3-4H3/b10-7+,12-9+.
What are the key properties of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine?
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine has a molecular weight of 169.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine is sourced from PubChem (CID 168972313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).