[(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine

C5H10BrN — CID 124706809

IUPAC[(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine
SMILESC[C@@]1(CN)C[C@H]1Br
InChIInChI=1S/C5H10BrN/c1-5(3-7)2-4(5)6/h4H,2-3,7H2,1H3/t4-,5+/m1/s1
InChIKeyQCKWPWCTVIBNIY-UHNVWZDZSA-N
MW164.05 g/mol
LogP1.12
Rot. Bonds1

About [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine

[(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine (PubChem CID 124706809) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine
PubChem CID124706809
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name[(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine
SMILESC[C@@]1(CN)C[C@H]1Br
InChIInChI=1S/C5H10BrN/c1-5(3-7)2-4(5)6/h4H,2-3,7H2,1H3/t4-,5+/m1/s1
InChIKeyQCKWPWCTVIBNIY-UHNVWZDZSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.12
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-bromo-1-methylcyclopropyl)methanol
CID 12502936
(1,2,4,4-tetramethylcyclopentyl)methanamine
CID 131550173
2-amino-N-[(2-bromo-1-methylcyclopropyl)methyl]-2-methylpropanamide
CID 155953023
[(1S,7S,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639186
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 15193955
[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639150
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
(8-methyl-8-tetracyclo[4.3.0.02,4.03,7]nonanyl)methanamine
CID 54121518
3-(aminomethyl)-3-methylcyclobutan-1-ol
CID 115011071
3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine
CID 168891555
[(1S,2S,4R)-1,2,4-trimethylcyclohexyl]methanamine
CID 125452405

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine?
The IUPAC name of [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine (CID 124706809) is [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine?
The canonical SMILES for [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine is C[C@@]1(CN)C[C@H]1Br.
What is the InChIKey of [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine?
The InChIKey is QCKWPWCTVIBNIY-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10BrN/c1-5(3-7)2-4(5)6/h4H,2-3,7H2,1H3/t4-,5+/m1/s1.
What are the key properties of [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine?
[(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine has a molecular weight of 164.05 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-bromo-1-methylcyclopropyl]methanamine is sourced from PubChem (CID 124706809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).