2-bromo-1-methylcyclopropan-1-amine;hydrochloride

C4H9BrClN — CID 163358587

IUPAC2-bromo-1-methylcyclopropan-1-amine;hydrochloride
SMILESCC1(N)CC1Br.Cl
InChIInChI=1S/C4H8BrN.ClH/c1-4(6)2-3(4)5;/h3H,2,6H2,1H3;1H
InChIKeyQKPQIGDSHYOVSZ-UHFFFAOYSA-N
MW186.48 g/mol
LogP1.29
Rot. Bonds

About 2-bromo-1-methylcyclopropan-1-amine;hydrochloride

2-bromo-1-methylcyclopropan-1-amine;hydrochloride (PubChem CID 163358587) has the molecular formula C4H9BrClN and a molecular weight of 186.48 g/mol. Its IUPAC name is 2-bromo-1-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-bromo-1-methylcyclopropan-1-amine;hydrochloride
PubChem CID163358587
Molecular FormulaC4H9BrClN
Molecular Weight186.48 g/mol
Exact Mass184.96
IUPAC Name2-bromo-1-methylcyclopropan-1-amine;hydrochloride
SMILESCC1(N)CC1Br.Cl
InChIInChI=1S/C4H8BrN.ClH/c1-4(6)2-3(4)5;/h3H,2,6H2,1H3;1H
InChIKeyQKPQIGDSHYOVSZ-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.48
LogP ≤ 51.29
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

3-Bromo-2-methylbutan-2-amine hydrochloride
CID 13865659
1-Bromo-2-methylpropan-2-amine
CID 426399
3-Bromo-2-methylbutan-2-amine
CID 13865658
2-Bromo-1-methylcyclopropan-1-amine
CID 69843752
1-(Bromomethyl)cyclopropan-1-amine
CID 114401684
1-(Bromomethyl)cyclopropan-1-amine hydrobromide
CID 138039924

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-bromo-1-methylcyclopropan-1-amine;hydrochloride (CID 163358587) is 2-bromo-1-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-bromo-1-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-bromo-1-methylcyclopropan-1-amine;hydrochloride is CC1(N)CC1Br.Cl.
What is the InChIKey of 2-bromo-1-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is QKPQIGDSHYOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrN.ClH/c1-4(6)2-3(4)5;/h3H,2,6H2,1H3;1H.
What are the key properties of 2-bromo-1-methylcyclopropan-1-amine;hydrochloride?
2-bromo-1-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 186.48 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 163358587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).