N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine

C8H12BrN — CID 145324666

IUPACN-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(Br)\C=C\CC
InChIInChI=1S/C8H12BrN/c1-3-5-6-8(9)7-10-4-2/h4-7H,3H2,1-2H3/b6-5+,8-7+,10-4+
InChIKeyRROZKASHRUVKRE-RUCBVRGHSA-N
MW202.09 g/mol
LogP3.28
Rot. Bonds3

About N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine

N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine (PubChem CID 145324666) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine
PubChem CID145324666
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC NameN-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(Br)\C=C\CC
InChIInChI=1S/C8H12BrN/c1-3-5-6-8(9)7-10-4-2/h4-7H,3H2,1-2H3/b6-5+,8-7+,10-4+
InChIKeyRROZKASHRUVKRE-RUCBVRGHSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 53.28
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,6E)-5-bromonona-1,4,6,8-tetraenyl]-2,2-difluoroethanimine
CID 144229290
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimine
CID 88932335
N-[(5Z)-hepta-1,2,5-trienyl]ethanimine
CID 89361686
N-[(1Z)-hexa-1,3-dienyl]ethanimine
CID 90803337
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]ethanimine
CID 126598953
N-[(1Z,3E)-hexa-1,3-dienyl]prop-2-en-1-imine
CID 130374715
(2Z,4Z)-4-bromo-N-ethenylhexa-2,4-dien-1-imine
CID 132216656
N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine
CID 134373893
N-[(1E,3Z,5E)-6-bromo-2-methylhepta-1,3,5-trienyl]-2-methylpropan-1-imine
CID 139528488
N-[(1Z,3Z)-hexa-1,3-dienyl]propan-1-imine
CID 142050584
(Z)-N-[(1Z,3E)-hexa-1,3-dienyl]but-2-en-1-imine
CID 142416962
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]ethanimine
CID 143213244

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine (CID 145324666) is N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine is C/C=N/C=C(Br)\C=C\CC.
What is the InChIKey of N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine?
The InChIKey is RROZKASHRUVKRE-RUCBVRGHSA-N. The full InChI is InChI=1S/C8H12BrN/c1-3-5-6-8(9)7-10-4-2/h4-7H,3H2,1-2H3/b6-5+,8-7+,10-4+.
What are the key properties of N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine?
N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine has a molecular weight of 202.09 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-bromohexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 145324666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).