3-amino-N-methyl-3-methyliminopropanamide

C5H11N3O — CID 58823165

IUPAC3-amino-N-methyl-3-methyliminopropanamide
SMILESC/N=C(\N)CC(=O)NC
InChIInChI=1S/C5H11N3O/c1-7-4(6)3-5(9)8-2/h3H2,1-2H3,(H2,6,7)(H,8,9)
InChIKeySACKQXICQQDODC-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.89
Rot. Bonds2

About 3-amino-N-methyl-3-methyliminopropanamide

3-amino-N-methyl-3-methyliminopropanamide (PubChem CID 58823165) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-N-methyl-3-methyliminopropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-methyliminopropanamide
PubChem CID58823165
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-amino-N-methyl-3-methyliminopropanamide
SMILESC/N=C(\N)CC(=O)NC
InChIInChI=1S/C5H11N3O/c1-7-4(6)3-5(9)8-2/h3H2,1-2H3,(H2,6,7)(H,8,9)
InChIKeySACKQXICQQDODC-UHFFFAOYSA-N
XLogP-0.89
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-methyliminopropanamide?
The IUPAC name of 3-amino-N-methyl-3-methyliminopropanamide (CID 58823165) is 3-amino-N-methyl-3-methyliminopropanamide.
What is the SMILES notation for 3-amino-N-methyl-3-methyliminopropanamide?
The canonical SMILES for 3-amino-N-methyl-3-methyliminopropanamide is C/N=C(\N)CC(=O)NC.
What is the InChIKey of 3-amino-N-methyl-3-methyliminopropanamide?
The InChIKey is SACKQXICQQDODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-7-4(6)3-5(9)8-2/h3H2,1-2H3,(H2,6,7)(H,8,9).
What are the key properties of 3-amino-N-methyl-3-methyliminopropanamide?
3-amino-N-methyl-3-methyliminopropanamide has a molecular weight of 129.16 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-methyliminopropanamide is sourced from PubChem (CID 58823165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).