3-amino-2-methyl-3-methyliminopropanamide

C5H11N3O — CID 87596185

IUPAC3-amino-2-methyl-3-methyliminopropanamide
SMILESC/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C5H11N3O/c1-3(5(7)9)4(6)8-2/h3H,1-2H3,(H2,6,8)(H2,7,9)
InChIKeyQWYMQAQUJAPBDK-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.91
Rot. Bonds2

About 3-amino-2-methyl-3-methyliminopropanamide

3-amino-2-methyl-3-methyliminopropanamide (PubChem CID 87596185) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-2-methyl-3-methyliminopropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-methyliminopropanamide
PubChem CID87596185
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3-amino-2-methyl-3-methyliminopropanamide
SMILESC/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C5H11N3O/c1-3(5(7)9)4(6)8-2/h3H,1-2H3,(H2,6,8)(H2,7,9)
InChIKeyQWYMQAQUJAPBDK-UHFFFAOYSA-N
XLogP-0.91
TPSA81.47 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 ≤ 5-0.91
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-2-methyl-3-methyliminopropanamide?
The IUPAC name of 3-amino-2-methyl-3-methyliminopropanamide (CID 87596185) is 3-amino-2-methyl-3-methyliminopropanamide.
What is the SMILES notation for 3-amino-2-methyl-3-methyliminopropanamide?
The canonical SMILES for 3-amino-2-methyl-3-methyliminopropanamide is C/N=C(\N)C(C)C(N)=O.
What is the InChIKey of 3-amino-2-methyl-3-methyliminopropanamide?
The InChIKey is QWYMQAQUJAPBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3(5(7)9)4(6)8-2/h3H,1-2H3,(H2,6,8)(H2,7,9).
What are the key properties of 3-amino-2-methyl-3-methyliminopropanamide?
3-amino-2-methyl-3-methyliminopropanamide has a molecular weight of 129.16 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-methyliminopropanamide is sourced from PubChem (CID 87596185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).