cis-(1S,2R)-2-bromocyclohexan-1-amine

C6H12BrN — CID 92968948

IUPACcis-(1S,2R)-2-bromocyclohexan-1-amine
SMILESN[C@H]1CCCC[C@H]1Br
InChIInChI=1S/C6H12BrN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2/t5-,6+/m1/s1
InChIKeyAQBYKNASJVORLT-RITPCOANSA-N
MW178.07 g/mol
LogP1.65
Rot. Bonds

About cis-(1S,2R)-2-bromocyclohexan-1-amine

cis-(1S,2R)-2-bromocyclohexan-1-amine (PubChem CID 92968948) has the molecular formula C6H12BrN and a molecular weight of 178.07 g/mol. Its IUPAC name is cis-(1S,2R)-2-bromocyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-bromocyclohexan-1-amine
PubChem CID92968948
Molecular FormulaC6H12BrN
Molecular Weight178.07 g/mol
Exact Mass177.02
IUPAC Namecis-(1S,2R)-2-bromocyclohexan-1-amine
SMILESN[C@H]1CCCC[C@H]1Br
InChIInChI=1S/C6H12BrN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2/t5-,6+/m1/s1
InChIKeyAQBYKNASJVORLT-RITPCOANSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromocyclohexan-1-amine;hydrobromide
CID 71755398
trans-(1S,2S)-2-bromocyclopentan-1-amine
CID 95970386
1,2-dibromocyclodecane
CID 73175476
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
1,2-dibromocyclododecane
CID 13111000
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
tetrakis(cis-(1S,2R)-cyclohexane-1,2-diamine);bis(gold(3+));hexachloride;hexahydrate
CID 139176759
chromium(3+);tris(trans-(1S,2S)-cyclohexane-1,2-diamine);trichloride;dihydrate
CID 139198738
2-(2-bromocyclohexyl)ethanamine
CID 53434161
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-bromocyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-bromocyclohexan-1-amine (CID 92968948) is cis-(1S,2R)-2-bromocyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-bromocyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-bromocyclohexan-1-amine is N[C@H]1CCCC[C@H]1Br.
What is the InChIKey of cis-(1S,2R)-2-bromocyclohexan-1-amine?
The InChIKey is AQBYKNASJVORLT-RITPCOANSA-N. The full InChI is InChI=1S/C6H12BrN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-bromocyclohexan-1-amine?
cis-(1S,2R)-2-bromocyclohexan-1-amine has a molecular weight of 178.07 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-bromocyclohexan-1-amine is sourced from PubChem (CID 92968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).