[1-(2-bromoethyl)azetidin-3-yl]methanamine

C6H13BrN2 — CID 167184811

IUPAC[1-(2-bromoethyl)azetidin-3-yl]methanamine
SMILESNCC1CN(CCBr)C1
InChIInChI=1S/C6H13BrN2/c7-1-2-9-4-6(3-8)5-9/h6H,1-5,8H2
InChIKeyGUMBBGQTHJNVPY-UHFFFAOYSA-N
MW193.09 g/mol
LogP0.27
Rot. Bonds3

About [1-(2-bromoethyl)azetidin-3-yl]methanamine

[1-(2-bromoethyl)azetidin-3-yl]methanamine (PubChem CID 167184811) has the molecular formula C6H13BrN2 and a molecular weight of 193.09 g/mol. Its IUPAC name is [1-(2-bromoethyl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromoethyl)azetidin-3-yl]methanamine
PubChem CID167184811
Molecular FormulaC6H13BrN2
Molecular Weight193.09 g/mol
Exact Mass192.03
IUPAC Name[1-(2-bromoethyl)azetidin-3-yl]methanamine
SMILESNCC1CN(CCBr)C1
InChIInChI=1S/C6H13BrN2/c7-1-2-9-4-6(3-8)5-9/h6H,1-5,8H2
InChIKeyGUMBBGQTHJNVPY-UHFFFAOYSA-N
XLogP0.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-bromoethyl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(2-bromoethyl)azetidin-3-yl]methanamine (CID 167184811) is [1-(2-bromoethyl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromoethyl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(2-bromoethyl)azetidin-3-yl]methanamine is NCC1CN(CCBr)C1.
What is the InChIKey of [1-(2-bromoethyl)azetidin-3-yl]methanamine?
The InChIKey is GUMBBGQTHJNVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2/c7-1-2-9-4-6(3-8)5-9/h6H,1-5,8H2.
What are the key properties of [1-(2-bromoethyl)azetidin-3-yl]methanamine?
[1-(2-bromoethyl)azetidin-3-yl]methanamine has a molecular weight of 193.09 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoethyl)azetidin-3-yl]methanamine is sourced from PubChem (CID 167184811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).