4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine

C9H12BrN — CID 90739036

IUPAC4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(Br)=CC(C)(C)C1
InChIInChI=1S/C9H12BrN/c1-9(2)5-7(10)3-4-8(11)6-9/h3-5,11H,6H2,1-2H3/b11-8+
InChIKeyMEVCZFUPMQUIME-DHZHZOJOSA-N
MW214.11 g/mol
LogP3.27
Rot. Bonds

About 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine

4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine (PubChem CID 90739036) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine
PubChem CID90739036
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(Br)=CC(C)(C)C1
InChIInChI=1S/C9H12BrN/c1-9(2)5-7(10)3-4-8(11)6-9/h3-5,11H,6H2,1-2H3/b11-8+
InChIKeyMEVCZFUPMQUIME-DHZHZOJOSA-N
XLogP3.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[Ethyl(propan-2-yl)boranyl]-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 90770773
6,6-Dimethylcyclohepta-2,4-dien-1-imine
CID 91267490
(5Z,7E)-8-bromo-3-methylnona-5,7-dien-4-imine
CID 123217383
6-Ethyl-6-methylcyclohepta-2,4-dien-1-imine
CID 123235528
4-Bromo-6-ethenyl-6-methylcyclohept-3-ene-1,2-diimine
CID 123441577
(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
CID 123474126
4-Bromo-7-methylcyclohepta-2,4-dien-1-imine
CID 123491529
5,6,6-Trimethylcyclohepta-2,4-dien-1-imine
CID 123774936
6-Methylcyclohepta-2,4-dien-1-imine
CID 123782206
4-Bromo-6,7-dimethylcyclohepta-2,4-dien-1-imine
CID 126716571
(4Z)-2,2-dimethylhepta-4,6-dien-3-imine
CID 176687043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine (CID 90739036) is 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=CC(Br)=CC(C)(C)C1.
What is the InChIKey of 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine?
The InChIKey is MEVCZFUPMQUIME-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H12BrN/c1-9(2)5-7(10)3-4-8(11)6-9/h3-5,11H,6H2,1-2H3/b11-8+.
What are the key properties of 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine?
4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine has a molecular weight of 214.11 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,6-dimethylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 90739036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).