trans-(1S,2S)-2-bromocyclopentan-1-amine

C5H10BrN — CID 95970386

IUPACtrans-(1S,2S)-2-bromocyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1Br
InChIInChI=1S/C5H10BrN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5-/m0/s1
InChIKeyYTSGAVHWZSBZAL-WHFBIAKZSA-N
MW164.05 g/mol
LogP1.26
Rot. Bonds

About trans-(1S,2S)-2-bromocyclopentan-1-amine

trans-(1S,2S)-2-bromocyclopentan-1-amine (PubChem CID 95970386) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is trans-(1S,2S)-2-bromocyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-bromocyclopentan-1-amine
PubChem CID95970386
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Nametrans-(1S,2S)-2-bromocyclopentan-1-amine
SMILESN[C@H]1CCC[C@@H]1Br
InChIInChI=1S/C5H10BrN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5-/m0/s1
InChIKeyYTSGAVHWZSBZAL-WHFBIAKZSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.26
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 trans-(1S,2S)-2-bromocyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-bromocyclopentan-1-amine (CID 95970386) is trans-(1S,2S)-2-bromocyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-bromocyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-bromocyclopentan-1-amine is N[C@H]1CCC[C@@H]1Br.
What is the InChIKey of trans-(1S,2S)-2-bromocyclopentan-1-amine?
The InChIKey is YTSGAVHWZSBZAL-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10BrN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-bromocyclopentan-1-amine?
trans-(1S,2S)-2-bromocyclopentan-1-amine has a molecular weight of 164.05 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-bromocyclopentan-1-amine is sourced from PubChem (CID 95970386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).