N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine

C9H14FN — CID 142421723

IUPACN-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C(/F)C(=C)C(C)(C)C
InChIInChI=1S/C9H14FN/c1-7(9(2,3)4)8(10)6-11-5/h6H,1,5H2,2-4H3/b8-6+
InChIKeyKXFCMTLJRRHFGY-SOFGYWHQSA-N
MW155.22 g/mol
LogP3.10
Rot. Bonds2

About N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine

N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine (PubChem CID 142421723) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine
PubChem CID142421723
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C(/F)C(=C)C(C)(C)C
InChIInChI=1S/C9H14FN/c1-7(9(2,3)4)8(10)6-11-5/h6H,1,5H2,2-4H3/b8-6+
InChIKeyKXFCMTLJRRHFGY-SOFGYWHQSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.10
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-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 178114617
N-(2,3,3-trimethylbut-1-enyl)methanimine
CID 123648567
N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine
CID 142188654
ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 144746713

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine (CID 142421723) is N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine is C=N/C=C(/F)C(=C)C(C)(C)C.
What is the InChIKey of N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine?
The InChIKey is KXFCMTLJRRHFGY-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(9(2,3)4)8(10)6-11-5/h6H,1,5H2,2-4H3/b8-6+.
What are the key properties of N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine?
N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine has a molecular weight of 155.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine is sourced from PubChem (CID 142421723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).