2-bromocyclohexan-1-amine;hydrobromide

C6H13Br2N — CID 71755398

IUPAC2-bromocyclohexan-1-amine;hydrobromide
SMILESBr.NC1CCCCC1Br
InChIInChI=1S/C6H12BrN.BrH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H
InChIKeyOHRFSRLWUIONFQ-UHFFFAOYSA-N
MW258.99 g/mol
LogP2.23
Rot. Bonds

About 2-bromocyclohexan-1-amine;hydrobromide

2-bromocyclohexan-1-amine;hydrobromide (PubChem CID 71755398) has the molecular formula C6H13Br2N and a molecular weight of 258.99 g/mol. Its IUPAC name is 2-bromocyclohexan-1-amine;hydrobromide.

Molecular Properties

Compound Name2-bromocyclohexan-1-amine;hydrobromide
PubChem CID71755398
Molecular FormulaC6H13Br2N
Molecular Weight258.99 g/mol
Exact Mass256.94
IUPAC Name2-bromocyclohexan-1-amine;hydrobromide
SMILESBr.NC1CCCCC1Br
InChIInChI=1S/C6H12BrN.BrH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H
InChIKeyOHRFSRLWUIONFQ-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.99
LogP ≤ 52.23
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-bromocyclohexan-1-amine;hydrobromide?
The IUPAC name of 2-bromocyclohexan-1-amine;hydrobromide (CID 71755398) is 2-bromocyclohexan-1-amine;hydrobromide.
What is the SMILES notation for 2-bromocyclohexan-1-amine;hydrobromide?
The canonical SMILES for 2-bromocyclohexan-1-amine;hydrobromide is Br.NC1CCCCC1Br.
What is the InChIKey of 2-bromocyclohexan-1-amine;hydrobromide?
The InChIKey is OHRFSRLWUIONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN.BrH/c7-5-3-1-2-4-6(5)8;/h5-6H,1-4,8H2;1H.
What are the key properties of 2-bromocyclohexan-1-amine;hydrobromide?
2-bromocyclohexan-1-amine;hydrobromide has a molecular weight of 258.99 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclohexan-1-amine;hydrobromide is sourced from PubChem (CID 71755398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).