(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine

C10H16BrN — CID 123217383

IUPAC(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C(/C)Br)C(C)CC
InChIInChI=1S/C10H16BrN/c1-4-8(2)10(12)7-5-6-9(3)11/h5-8,12H,4H2,1-3H3/b7-5-,9-6+,12-10-
InChIKeyLTVIGTDFFLEPSE-NOEWKQQOSA-N
MW230.15 g/mol
LogP3.91
Rot. Bonds4

About (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine

(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine (PubChem CID 123217383) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine
PubChem CID123217383
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C(/C)Br)C(C)CC
InChIInChI=1S/C10H16BrN/c1-4-8(2)10(12)7-5-6-9(3)11/h5-8,12H,4H2,1-3H3/b7-5-,9-6+,12-10-
InChIKeyLTVIGTDFFLEPSE-NOEWKQQOSA-N
XLogP3.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
1-(3-Bromo-4-fluorocyclohexa-2,4-dien-1-yl)ethanimine
CID 135190469
4-Bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 90739036
(E)-7-bromo-3-methylnon-6-ene-4,5-diimine
CID 90919953
3-Methyl-5-methylideneoct-6-en-4-imine
CID 123300580
(5Z,7E)-3,8-dimethyldeca-5,7-dien-4-imine
CID 123335649
(3Z,5E,7Z)-6-butan-2-yl-5-methyldeca-3,5,7-trien-2-imine
CID 123447656
(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
CID 123474126
4-Bromo-7-methylcyclohepta-2,4-dien-1-imine
CID 123491529
7-Ethylcyclohepta-2,4-dien-1-imine
CID 123593258
(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine
CID 123633438

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine?
The IUPAC name of (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine (CID 123217383) is (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine.
What is the SMILES notation for (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine?
The canonical SMILES for (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine is [H]/N=C(/C=C\C=C(/C)Br)C(C)CC.
What is the InChIKey of (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine?
The InChIKey is LTVIGTDFFLEPSE-NOEWKQQOSA-N. The full InChI is InChI=1S/C10H16BrN/c1-4-8(2)10(12)7-5-6-9(3)11/h5-8,12H,4H2,1-3H3/b7-5-,9-6+,12-10-.
What are the key properties of (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine?
(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine has a molecular weight of 230.15 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine is sourced from PubChem (CID 123217383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).