(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine

C10H16BrN — CID 123390438

IUPAC(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
SMILES[H]/N=C(C=C(C)C)/C(C)=C(\Br)CC
InChIInChI=1S/C10H16BrN/c1-5-9(11)8(4)10(12)6-7(2)3/h6,12H,5H2,1-4H3/b9-8-,12-10+
InChIKeyHSRYAOJOBZHZTK-LVQHWDRTSA-N
MW230.15 g/mol
LogP4.05
Rot. Bonds3

About (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine

(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine (PubChem CID 123390438) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine.

Molecular Properties

Compound Name(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
PubChem CID123390438
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
SMILES[H]/N=C(C=C(C)C)/C(C)=C(\Br)CC
InChIInChI=1S/C10H16BrN/c1-5-9(11)8(4)10(12)6-7(2)3/h6,12H,5H2,1-4H3/b9-8-,12-10+
InChIKeyHSRYAOJOBZHZTK-LVQHWDRTSA-N
XLogP4.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine 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

(3Z,7E)-2-bromo-8-fluoro-6-methylideneundeca-3,7-dien-5-imine
CID 123986029
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
4-Bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine
CID 21335501
(Z)-3-methylhept-3-en-2-imine
CID 90869422
4-Bromohept-3-en-2-imine
CID 91351423
3,6-Dimethylhepta-3,6-dien-2-imine
CID 91523155
4-Bromo-3,6-dimethylhepta-3,6-dien-2-imine
CID 123383814
2,6-Dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine
CID 123387820
5-Methylhept-4-en-3-imine
CID 123462631
(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
CID 123474126
(Z)-5-methylhept-4-en-3-imine
CID 123544848
(E)-4-bromohex-3-en-2-imine
CID 123781067

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine?
The IUPAC name of (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine (CID 123390438) is (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine.
What is the SMILES notation for (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine?
The canonical SMILES for (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine is [H]/N=C(C=C(C)C)/C(C)=C(\Br)CC.
What is the InChIKey of (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine?
The InChIKey is HSRYAOJOBZHZTK-LVQHWDRTSA-N. The full InChI is InChI=1S/C10H16BrN/c1-5-9(11)8(4)10(12)6-7(2)3/h6,12H,5H2,1-4H3/b9-8-,12-10+.
What are the key properties of (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine?
(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine has a molecular weight of 230.15 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine is sourced from PubChem (CID 123390438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).