3-aminopropanamide;2-bromoacetamide;methanamine

C6H17BrN4O2 — CID 159106837

IUPAC3-aminopropanamide;2-bromoacetamide;methanamine
SMILESCN.NC(=O)CBr.NCCC(N)=O
InChIInChI=1S/C3H8N2O.C2H4BrNO.CH5N/c4-2-1-3(5)6;3-1-2(4)5;1-2/h1-2,4H2,(H2,5,6);1H2,(H2,4,5);2H2,1H3
InChIKeyKDZLZOLYIKTQDA-UHFFFAOYSA-N
MW257.13 g/mol
LogP-1.74
Rot. Bonds3

About 3-aminopropanamide;2-bromoacetamide;methanamine

3-aminopropanamide;2-bromoacetamide;methanamine (PubChem CID 159106837) has the molecular formula C6H17BrN4O2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-aminopropanamide;2-bromoacetamide;methanamine.

Molecular Properties

Compound Name3-aminopropanamide;2-bromoacetamide;methanamine
PubChem CID159106837
Molecular FormulaC6H17BrN4O2
Molecular Weight257.13 g/mol
Exact Mass256.05
IUPAC Name3-aminopropanamide;2-bromoacetamide;methanamine
SMILESCN.NC(=O)CBr.NCCC(N)=O
InChIInChI=1S/C3H8N2O.C2H4BrNO.CH5N/c4-2-1-3(5)6;3-1-2(4)5;1-2/h1-2,4H2,(H2,5,6);1H2,(H2,4,5);2H2,1H3
InChIKeyKDZLZOLYIKTQDA-UHFFFAOYSA-N
XLogP-1.74
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3-aminopropanamide;2-bromoacetamide;methanamine?
The IUPAC name of 3-aminopropanamide;2-bromoacetamide;methanamine (CID 159106837) is 3-aminopropanamide;2-bromoacetamide;methanamine.
What is the SMILES notation for 3-aminopropanamide;2-bromoacetamide;methanamine?
The canonical SMILES for 3-aminopropanamide;2-bromoacetamide;methanamine is CN.NC(=O)CBr.NCCC(N)=O.
What is the InChIKey of 3-aminopropanamide;2-bromoacetamide;methanamine?
The InChIKey is KDZLZOLYIKTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C2H4BrNO.CH5N/c4-2-1-3(5)6;3-1-2(4)5;1-2/h1-2,4H2,(H2,5,6);1H2,(H2,4,5);2H2,1H3.
What are the key properties of 3-aminopropanamide;2-bromoacetamide;methanamine?
3-aminopropanamide;2-bromoacetamide;methanamine has a molecular weight of 257.13 g/mol, XLogP of -1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanamide;2-bromoacetamide;methanamine is sourced from PubChem (CID 159106837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).