2-(2-bromocyclohexyl)ethanamine

C8H16BrN — CID 53434161

IUPAC2-(2-bromocyclohexyl)ethanamine
SMILESNCCC1CCCCC1Br
InChIInChI=1S/C8H16BrN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2
InChIKeyLXTMNCXVBWTWOD-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.29
Rot. Bonds2

About 2-(2-bromocyclohexyl)ethanamine

2-(2-bromocyclohexyl)ethanamine (PubChem CID 53434161) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 2-(2-bromocyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromocyclohexyl)ethanamine
PubChem CID53434161
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name2-(2-bromocyclohexyl)ethanamine
SMILESNCCC1CCCCC1Br
InChIInChI=1S/C8H16BrN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2
InChIKeyLXTMNCXVBWTWOD-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromocyclohexyl)ethanamine (CID 53434161) is 2-(2-bromocyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromocyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromocyclohexyl)ethanamine is NCCC1CCCCC1Br.
What is the InChIKey of 2-(2-bromocyclohexyl)ethanamine?
The InChIKey is LXTMNCXVBWTWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2.
What are the key properties of 2-(2-bromocyclohexyl)ethanamine?
2-(2-bromocyclohexyl)ethanamine has a molecular weight of 206.13 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclohexyl)ethanamine is sourced from PubChem (CID 53434161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).