N-(6-bromohexyl)methanimine

C7H14BrN — CID 147930305

IUPACN-(6-bromohexyl)methanimine
SMILESC=NCCCCCCBr
InChIInChI=1S/C7H14BrN/c1-9-7-5-3-2-4-6-8/h1-7H2
InChIKeyIJSWNTFUZFZQBP-UHFFFAOYSA-N
MW192.10 g/mol
LogP2.64
Rot. Bonds6

About N-(6-bromohexyl)methanimine

N-(6-bromohexyl)methanimine (PubChem CID 147930305) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is N-(6-bromohexyl)methanimine.

Molecular Properties

Compound NameN-(6-bromohexyl)methanimine
PubChem CID147930305
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC NameN-(6-bromohexyl)methanimine
SMILESC=NCCCCCCBr
InChIInChI=1S/C7H14BrN/c1-9-7-5-3-2-4-6-8/h1-7H2
InChIKeyIJSWNTFUZFZQBP-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(6-bromohexyl)methanimine?
The IUPAC name of N-(6-bromohexyl)methanimine (CID 147930305) is N-(6-bromohexyl)methanimine.
What is the SMILES notation for N-(6-bromohexyl)methanimine?
The canonical SMILES for N-(6-bromohexyl)methanimine is C=NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)methanimine?
The InChIKey is IJSWNTFUZFZQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-9-7-5-3-2-4-6-8/h1-7H2.
What are the key properties of N-(6-bromohexyl)methanimine?
N-(6-bromohexyl)methanimine has a molecular weight of 192.10 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)methanimine is sourced from PubChem (CID 147930305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).