1-(4-bromocyclohexyl)ethenamine

C8H14BrN — CID 130195147

IUPAC1-(4-bromocyclohexyl)ethenamine
SMILESC=C(N)C1CCC(Br)CC1
InChIInChI=1S/C8H14BrN/c1-6(10)7-2-4-8(9)5-3-7/h7-8H,1-5,10H2
InChIKeyRVKZXEZOPYTBCD-UHFFFAOYSA-N
MW204.11 g/mol
LogP2.41
Rot. Bonds1

About 1-(4-bromocyclohexyl)ethenamine

1-(4-bromocyclohexyl)ethenamine (PubChem CID 130195147) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is 1-(4-bromocyclohexyl)ethenamine.

Molecular Properties

Compound Name1-(4-bromocyclohexyl)ethenamine
PubChem CID130195147
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name1-(4-bromocyclohexyl)ethenamine
SMILESC=C(N)C1CCC(Br)CC1
InChIInChI=1S/C8H14BrN/c1-6(10)7-2-4-8(9)5-3-7/h7-8H,1-5,10H2
InChIKeyRVKZXEZOPYTBCD-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromocyclohexyl)ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromocyclohexyl)ethenamine?
The IUPAC name of 1-(4-bromocyclohexyl)ethenamine (CID 130195147) is 1-(4-bromocyclohexyl)ethenamine.
What is the SMILES notation for 1-(4-bromocyclohexyl)ethenamine?
The canonical SMILES for 1-(4-bromocyclohexyl)ethenamine is C=C(N)C1CCC(Br)CC1.
What is the InChIKey of 1-(4-bromocyclohexyl)ethenamine?
The InChIKey is RVKZXEZOPYTBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN/c1-6(10)7-2-4-8(9)5-3-7/h7-8H,1-5,10H2.
What are the key properties of 1-(4-bromocyclohexyl)ethenamine?
1-(4-bromocyclohexyl)ethenamine has a molecular weight of 204.11 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromocyclohexyl)ethenamine is sourced from PubChem (CID 130195147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).