2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane

C15H25Br — CID 79550198

IUPAC2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
SMILESBrCC1(CC2CC3CCC2C3)CCCCC1
InChIInChI=1S/C15H25Br/c16-11-15(6-2-1-3-7-15)10-14-9-12-4-5-13(14)8-12/h12-14H,1-11H2
InChIKeyJDVSCUIOEIRKCI-UHFFFAOYSA-N
MW285.27 g/mol
LogP5.16
Rot. Bonds3

About 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane

2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane (PubChem CID 79550198) has the molecular formula C15H25Br and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
PubChem CID79550198
Molecular FormulaC15H25Br
Molecular Weight285.27 g/mol
Exact Mass284.11
IUPAC Name2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
SMILESBrCC1(CC2CC3CCC2C3)CCCCC1
InChIInChI=1S/C15H25Br/c16-11-15(6-2-1-3-7-15)10-14-9-12-4-5-13(14)8-12/h12-14H,1-11H2
InChIKeyJDVSCUIOEIRKCI-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.27
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine
CID 79562942
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79562303
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
CID 112562902
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine
CID 79561416
[3-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 113289949
[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
CID 79550992
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
[1-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexyl]methanol
CID 79555111
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane (CID 79550198) is 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane is BrCC1(CC2CC3CCC2C3)CCCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane?
The InChIKey is JDVSCUIOEIRKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Br/c16-11-15(6-2-1-3-7-15)10-14-9-12-4-5-13(14)8-12/h12-14H,1-11H2.
What are the key properties of 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane?
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane has a molecular weight of 285.27 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 79550198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).