1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine

C12H22BrN — CID 15255273

IUPAC1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine
SMILESCC(C)(C)/C(CBr)=N/C1CCCCC1
InChIInChI=1S/C12H22BrN/c1-12(2,3)11(9-13)14-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3/b14-11+
InChIKeyBMHVFCPNVBJKHY-SDNWHVSQSA-N
MW260.22 g/mol
LogP4.20
Rot. Bonds2

About 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine

1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine (PubChem CID 15255273) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine
PubChem CID15255273
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC Name1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine
SMILESCC(C)(C)/C(CBr)=N/C1CCCCC1
InChIInChI=1S/C12H22BrN/c1-12(2,3)11(9-13)14-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3/b14-11+
InChIKeyBMHVFCPNVBJKHY-SDNWHVSQSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 54.20
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 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine?
The IUPAC name of 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine (CID 15255273) is 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine.
What is the SMILES notation for 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine?
The canonical SMILES for 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine is CC(C)(C)/C(CBr)=N/C1CCCCC1.
What is the InChIKey of 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine?
The InChIKey is BMHVFCPNVBJKHY-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H22BrN/c1-12(2,3)11(9-13)14-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3/b14-11+.
What are the key properties of 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine?
1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine has a molecular weight of 260.22 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 15255273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).