N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine

C20H24BrN — CID 139320726

IUPACN-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine
SMILESC=CC(=C\C=C(/C)Br)/N=C(\c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24BrN/c1-3-19(15-14-16(2)21)22-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-4,6-7,10-11,14-15,18H,1,5,8-9,12-13H2,2H3/b16-14+,19-15+,22-20+
InChIKeyGYLNUOYKZMAEQR-YQWOQHLTSA-N
MW358.32 g/mol
LogP6.42
Rot. Bonds5

About N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine

N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine (PubChem CID 139320726) has the molecular formula C20H24BrN and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine
PubChem CID139320726
Molecular FormulaC20H24BrN
Molecular Weight358.32 g/mol
Exact Mass357.11
IUPAC NameN-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine
SMILESC=CC(=C\C=C(/C)Br)/N=C(\c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H24BrN/c1-3-19(15-14-16(2)21)22-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-4,6-7,10-11,14-15,18H,1,5,8-9,12-13H2,2H3/b16-14+,19-15+,22-20+
InChIKeyGYLNUOYKZMAEQR-YQWOQHLTSA-N
XLogP6.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 56.42
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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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine?
The IUPAC name of N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine (CID 139320726) is N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine.
What is the SMILES notation for N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine?
The canonical SMILES for N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine is C=CC(=C\C=C(/C)Br)/N=C(\c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine?
The InChIKey is GYLNUOYKZMAEQR-YQWOQHLTSA-N. The full InChI is InChI=1S/C20H24BrN/c1-3-19(15-14-16(2)21)22-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-4,6-7,10-11,14-15,18H,1,5,8-9,12-13H2,2H3/b16-14+,19-15+,22-20+.
What are the key properties of N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine?
N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine has a molecular weight of 358.32 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine is sourced from PubChem (CID 139320726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).