N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine

C7H10FN — CID 156158691

IUPACN-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESCC(=C/C=C(\N=C)/F)C
InChIInChI=1S/C7H10FN/c1-6(2)4-5-7(8)9-3/h4-5H,3H2,1-2H3/b7-5-
InChIKeyNPRMCSFHVIRDAU-ALCCZGGFSA-N
MW127.16 g/mol
LogP3.80
Rot. Bonds2

About N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine

N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine (PubChem CID 156158691) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine
PubChem CID156158691
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESCC(=C/C=C(\N=C)/F)C
InChIInChI=1S/C7H10FN/c1-6(2)4-5-7(8)9-3/h4-5H,3H2,1-2H3/b7-5-
InChIKeyNPRMCSFHVIRDAU-ALCCZGGFSA-N
XLogP3.80
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
CID 123242234
N-[(1E)-2-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129234801
N-[(1E,3E)-1,5,5,5-tetrafluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129260202
N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 139565422
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143567934
N-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(1Z,3Z)-1,2-difluoro-3-methylpenta-1,3-dienyl]methanimine
CID 144830398
N-[(2Z,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 146505995
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine
CID 155407014

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine (CID 156158691) is N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine is CC(=C/C=C(\N=C)/F)C.
What is the InChIKey of N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine?
The InChIKey is NPRMCSFHVIRDAU-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H10FN/c1-6(2)4-5-7(8)9-3/h4-5H,3H2,1-2H3/b7-5-.
What are the key properties of N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine?
N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine has a molecular weight of 127.16 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 156158691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).