3-bromo-N-cyclohexyl-3-methylbutan-2-imine

C11H20BrN — CID 11436526

IUPAC3-bromo-N-cyclohexyl-3-methylbutan-2-imine
SMILESC/C(=N\C1CCCCC1)C(C)(C)Br
InChIInChI=1S/C11H20BrN/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h10H,4-8H2,1-3H3/b13-9+
InChIKeyFZJYHVPIIAZPDB-UKTHLTGXSA-N
MW246.19 g/mol
LogP3.95
Rot. Bonds2

About 3-bromo-N-cyclohexyl-3-methylbutan-2-imine

3-bromo-N-cyclohexyl-3-methylbutan-2-imine (PubChem CID 11436526) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-3-methylbutan-2-imine.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-3-methylbutan-2-imine
PubChem CID11436526
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name3-bromo-N-cyclohexyl-3-methylbutan-2-imine
SMILESC/C(=N\C1CCCCC1)C(C)(C)Br
InChIInChI=1S/C11H20BrN/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h10H,4-8H2,1-3H3/b13-9+
InChIKeyFZJYHVPIIAZPDB-UKTHLTGXSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-3-methylbutan-2-imine?
The IUPAC name of 3-bromo-N-cyclohexyl-3-methylbutan-2-imine (CID 11436526) is 3-bromo-N-cyclohexyl-3-methylbutan-2-imine.
What is the SMILES notation for 3-bromo-N-cyclohexyl-3-methylbutan-2-imine?
The canonical SMILES for 3-bromo-N-cyclohexyl-3-methylbutan-2-imine is C/C(=N\C1CCCCC1)C(C)(C)Br.
What is the InChIKey of 3-bromo-N-cyclohexyl-3-methylbutan-2-imine?
The InChIKey is FZJYHVPIIAZPDB-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H20BrN/c1-9(11(2,3)12)13-10-7-5-4-6-8-10/h10H,4-8H2,1-3H3/b13-9+.
What are the key properties of 3-bromo-N-cyclohexyl-3-methylbutan-2-imine?
3-bromo-N-cyclohexyl-3-methylbutan-2-imine has a molecular weight of 246.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-3-methylbutan-2-imine is sourced from PubChem (CID 11436526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).