N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine

C8H14FN — CID 143818498

IUPACN-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine
SMILESC/C=N/C(C)C(C)/C=C/F
InChIInChI=1S/C8H14FN/c1-4-10-8(3)7(2)5-6-9/h4-8H,1-3H3/b6-5+,10-4+
InChIKeyIDCQKKKUJLWDBE-UVJWVVOVSA-N
MW143.20 g/mol
LogP2.58
Rot. Bonds3

About N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine

N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine (PubChem CID 143818498) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine
PubChem CID143818498
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC NameN-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine
SMILESC/C=N/C(C)C(C)/C=C/F
InChIInChI=1S/C8H14FN/c1-4-10-8(3)7(2)5-6-9/h4-8H,1-3H3/b6-5+,10-4+
InChIKeyIDCQKKKUJLWDBE-UVJWVVOVSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
N-(3-methylpent-4-en-2-yl)ethanimine
CID 89603941
N-(2-ethylbut-3-enyl)ethanimine
CID 145012064
N-(3-methylbutan-2-yl)hexa-4,5-dien-1-imine
CID 155395567
N,2,3-trimethylpent-4-en-1-imine
CID 156122709
N-(3-methylhex-5-en-2-yl)ethanimine
CID 164119938
2-ethenyl-4-methyl-N-propan-2-ylpentan-1-imine
CID 170077217
2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine
CID 11528413
N-tert-butyl-2-methylpent-4-en-1-imine
CID 13601885

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine?
The IUPAC name of N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine (CID 143818498) is N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine.
What is the SMILES notation for N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine?
The canonical SMILES for N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine is C/C=N/C(C)C(C)/C=C/F.
What is the InChIKey of N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine?
The InChIKey is IDCQKKKUJLWDBE-UVJWVVOVSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-10-8(3)7(2)5-6-9/h4-8H,1-3H3/b6-5+,10-4+.
What are the key properties of N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine?
N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine has a molecular weight of 143.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine is sourced from PubChem (CID 143818498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).