1-(bromomethyl)cyclopropan-1-amine

C4H8BrN — CID 114401684

IUPAC1-(bromomethyl)cyclopropan-1-amine
SMILESNC1(CBr)CC1
InChIInChI=1S/C4H8BrN/c5-3-4(6)1-2-4/h1-3,6H2
InChIKeyFVYDGKPHYFGPRO-UHFFFAOYSA-N
MW150.02 g/mol
LogP0.87
Rot. Bonds1

About 1-(bromomethyl)cyclopropan-1-amine

1-(bromomethyl)cyclopropan-1-amine (PubChem CID 114401684) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(bromomethyl)cyclopropan-1-amine
PubChem CID114401684
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name1-(bromomethyl)cyclopropan-1-amine
SMILESNC1(CBr)CC1
InChIInChI=1S/C4H8BrN/c5-3-4(6)1-2-4/h1-3,6H2
InChIKeyFVYDGKPHYFGPRO-UHFFFAOYSA-N
XLogP0.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 50.87
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 1-(bromomethyl)cyclopropan-1-amine?
The IUPAC name of 1-(bromomethyl)cyclopropan-1-amine (CID 114401684) is 1-(bromomethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(bromomethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(bromomethyl)cyclopropan-1-amine is NC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)cyclopropan-1-amine?
The InChIKey is FVYDGKPHYFGPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrN/c5-3-4(6)1-2-4/h1-3,6H2.
What are the key properties of 1-(bromomethyl)cyclopropan-1-amine?
1-(bromomethyl)cyclopropan-1-amine has a molecular weight of 150.02 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)cyclopropan-1-amine is sourced from PubChem (CID 114401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).