(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine

C8H13BrN2 — CID 143720548

IUPAC(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
SMILESC=N/C(Br)=C\C(C)=C(\N)CC
InChIInChI=1S/C8H13BrN2/c1-4-7(10)6(2)5-8(9)11-3/h5H,3-4,10H2,1-2H3/b7-6+,8-5-
InChIKeyXRWYRGKITGEJMX-NGWHPUCNSA-N
MW217.11 g/mol
LogP2.57
Rot. Bonds3

About (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine

(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine (PubChem CID 143720548) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
PubChem CID143720548
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
SMILESC=N/C(Br)=C\C(C)=C(\N)CC
InChIInChI=1S/C8H13BrN2/c1-4-7(10)6(2)5-8(9)11-3/h5H,3-4,10H2,1-2H3/b7-6+,8-5-
InChIKeyXRWYRGKITGEJMX-NGWHPUCNSA-N
XLogP2.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine 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

(E)-4-methylhex-3-en-3-amine
CID 129020883
2-methyl-4-methylidenehex-2-enamide
CID 123970755
(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine
CID 118449989
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
(E)-3-methyl-4-methylidenehex-2-en-2-amine
CID 177319888
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
4-bromohept-3-en-3-amine
CID 173294864
(3E)-2-bromo-4-ethoxyhexa-1,3-diene
CID 134176188
ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine
CID 144511179

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine (CID 143720548) is (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine is C=N/C(Br)=C\C(C)=C(\N)CC.
What is the InChIKey of (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine?
The InChIKey is XRWYRGKITGEJMX-NGWHPUCNSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-4-7(10)6(2)5-8(9)11-3/h5H,3-4,10H2,1-2H3/b7-6+,8-5-.
What are the key properties of (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine?
(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine has a molecular weight of 217.11 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine is sourced from PubChem (CID 143720548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).