2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine

C12H17Br2N — CID 123387820

IUPAC2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine
SMILES[H]/N=C1/CCC(C)C=C(Br)CCC(C)=C1Br
InChIInChI=1S/C12H17Br2N/c1-8-3-6-11(15)12(14)9(2)4-5-10(13)7-8/h7-8,15H,3-6H2,1-2H3/b10-7?,12-9?,15-11-
InChIKeySRSOINOHBCQCRG-LGYMFGJJSA-N
MW335.08 g/mol
LogP5.16
Rot. Bonds

About 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine

2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine (PubChem CID 123387820) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine.

Molecular Properties

Compound Name2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine
PubChem CID123387820
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine
SMILES[H]/N=C1/CCC(C)C=C(Br)CCC(C)=C1Br
InChIInChI=1S/C12H17Br2N/c1-8-3-6-11(15)12(14)9(2)4-5-10(13)7-8/h7-8,15H,3-6H2,1-2H3/b10-7?,12-9?,15-11-
InChIKeySRSOINOHBCQCRG-LGYMFGJJSA-N
XLogP5.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.08
LogP ≤ 55.16
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

(E)-7-bromo-3-methylnon-6-ene-4,5-diimine
CID 90919953
(E)-2,6-dimethyl-4-propan-2-ylhept-4-en-3-imine
CID 118346045
(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
CID 123390438
(2E)-4-bromo-2-(bromomethyl)-6-methylcycloocta-2,4-dien-1-imine
CID 123442389
3,6-Dimethylhept-2-en-4-imine
CID 123888930
(Z)-4-ethyl-2-methyloct-4-en-3-imine
CID 176962442
(Z)-4-ethyl-2-methylhept-4-en-3-imine
CID 176962645

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine?
The IUPAC name of 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine (CID 123387820) is 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine.
What is the SMILES notation for 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine?
The canonical SMILES for 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine is [H]/N=C1/CCC(C)C=C(Br)CCC(C)=C1Br.
What is the InChIKey of 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine?
The InChIKey is SRSOINOHBCQCRG-LGYMFGJJSA-N. The full InChI is InChI=1S/C12H17Br2N/c1-8-3-6-11(15)12(14)9(2)4-5-10(13)7-8/h7-8,15H,3-6H2,1-2H3/b10-7?,12-9?,15-11-.
What are the key properties of 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine?
2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine has a molecular weight of 335.08 g/mol, XLogP of 5.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,8-dimethylcyclodeca-2,6-dien-1-imine is sourced from PubChem (CID 123387820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).