4-(2-bromoethyl)cyclohexan-1-amine

C8H16BrN — CID 68903730

IUPAC4-(2-bromoethyl)cyclohexan-1-amine
SMILESNC1CCC(CCBr)CC1
InChIInChI=1S/C8H16BrN/c9-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6,10H2
InChIKeyBZIOFHQCIBBLKP-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.29
Rot. Bonds2

About 4-(2-bromoethyl)cyclohexan-1-amine

4-(2-bromoethyl)cyclohexan-1-amine (PubChem CID 68903730) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 4-(2-bromoethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-bromoethyl)cyclohexan-1-amine
PubChem CID68903730
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name4-(2-bromoethyl)cyclohexan-1-amine
SMILESNC1CCC(CCBr)CC1
InChIInChI=1S/C8H16BrN/c9-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6,10H2
InChIKeyBZIOFHQCIBBLKP-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'}

Analyze 4-(2-bromoethyl)cyclohexan-1-amine 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 4-(2-bromoethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-bromoethyl)cyclohexan-1-amine (CID 68903730) is 4-(2-bromoethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-bromoethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-bromoethyl)cyclohexan-1-amine is NC1CCC(CCBr)CC1.
What is the InChIKey of 4-(2-bromoethyl)cyclohexan-1-amine?
The InChIKey is BZIOFHQCIBBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c9-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6,10H2.
What are the key properties of 4-(2-bromoethyl)cyclohexan-1-amine?
4-(2-bromoethyl)cyclohexan-1-amine 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 4-(2-bromoethyl)cyclohexan-1-amine is sourced from PubChem (CID 68903730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).