1-(bromomethyl)cyclopropan-1-amine;hydrobromide

C4H9Br2N — CID 138039924

IUPAC1-(bromomethyl)cyclopropan-1-amine;hydrobromide
SMILESBr.NC1(CBr)CC1
InChIInChI=1S/C4H8BrN.BrH/c5-3-4(6)1-2-4;/h1-3,6H2;1H
InChIKeyQOJLYRQUVTUGHS-UHFFFAOYSA-N
MW230.93 g/mol
LogP1.45
Rot. Bonds1

About 1-(bromomethyl)cyclopropan-1-amine;hydrobromide

1-(bromomethyl)cyclopropan-1-amine;hydrobromide (PubChem CID 138039924) has the molecular formula C4H9Br2N and a molecular weight of 230.93 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopropan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-(bromomethyl)cyclopropan-1-amine;hydrobromide
PubChem CID138039924
Molecular FormulaC4H9Br2N
Molecular Weight230.93 g/mol
Exact Mass228.91
IUPAC Name1-(bromomethyl)cyclopropan-1-amine;hydrobromide
SMILESBr.NC1(CBr)CC1
InChIInChI=1S/C4H8BrN.BrH/c5-3-4(6)1-2-4;/h1-3,6H2;1H
InChIKeyQOJLYRQUVTUGHS-UHFFFAOYSA-N
XLogP1.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.93
LogP ≤ 51.45
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;hydrobromide?
The IUPAC name of 1-(bromomethyl)cyclopropan-1-amine;hydrobromide (CID 138039924) is 1-(bromomethyl)cyclopropan-1-amine;hydrobromide.
What is the SMILES notation for 1-(bromomethyl)cyclopropan-1-amine;hydrobromide?
The canonical SMILES for 1-(bromomethyl)cyclopropan-1-amine;hydrobromide is Br.NC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)cyclopropan-1-amine;hydrobromide?
The InChIKey is QOJLYRQUVTUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrN.BrH/c5-3-4(6)1-2-4;/h1-3,6H2;1H.
What are the key properties of 1-(bromomethyl)cyclopropan-1-amine;hydrobromide?
1-(bromomethyl)cyclopropan-1-amine;hydrobromide has a molecular weight of 230.93 g/mol, XLogP of 1.45, 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;hydrobromide is sourced from PubChem (CID 138039924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).