3-Amino-3-methyliminopropanamide

C4H9N3O — CID 15710601

IUPAC3-amino-3-methyliminopropanamide
SMILESCN=C(CC(=O)N)N
InChIInChI=1S/C4H9N3O/c1-7-3(5)2-4(6)8/h2H2,1H3,(H2,5,7)(H2,6,8)
InChIKeyWGMCKPKYQMNCDA-UHFFFAOYSA-N
MW115.13 g/mol
LogP-1.60
Rot. Bonds2

About 3-Amino-3-methyliminopropanamide

3-Amino-3-methyliminopropanamide (PubChem CID 15710601) has the molecular formula C4H9N3O and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-amino-3-methyliminopropanamide.

Molecular Properties

Compound Name3-Amino-3-methyliminopropanamide
PubChem CID15710601
Molecular FormulaC4H9N3O
Molecular Weight115.13 g/mol
Exact Mass115.07
IUPAC Name3-amino-3-methyliminopropanamide
SMILESCN=C(CC(=O)N)N
InChIInChI=1S/C4H9N3O/c1-7-3(5)2-4(6)8/h2H2,1H3,(H2,5,7)(H2,6,8)
InChIKeyWGMCKPKYQMNCDA-UHFFFAOYSA-N
XLogP-1.60
TPSA81.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity118

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-1.60
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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Related Compounds

CID 2723619
CID 2723619
N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide
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3-Amino-3-propan-2-yliminopropanamide
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3-Amino-3-ethyliminopropanamide
CID 22056426
3-(Methylamino)-3-methyliminopropanamide
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N'-methyl-3-oxobutanimidamide
CID 45085044
N-(1-aminopropylidene)acetamide
CID 55289163
3-amino-N-methyl-3-methyliminopropanamide
CID 58823165
2-(2-Aminoethyl)-5-methylimidazol-4-one
CID 67653693
N-(1-aminopropylidene)propanamide
CID 87475532
N-(1-aminoethylidene)propanamide
CID 87476740
3-Amino-3-ethylimino-2-methylpropanamide
CID 87477659

Frequently Asked Questions

What is the IUPAC name of 3-Amino-3-methyliminopropanamide?
The IUPAC name of 3-Amino-3-methyliminopropanamide (CID 15710601) is 3-amino-3-methyliminopropanamide.
What is the SMILES notation for 3-Amino-3-methyliminopropanamide?
The canonical SMILES for 3-Amino-3-methyliminopropanamide is CN=C(CC(=O)N)N.
What is the InChIKey of 3-Amino-3-methyliminopropanamide?
The InChIKey is WGMCKPKYQMNCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-7-3(5)2-4(6)8/h2H2,1H3,(H2,5,7)(H2,6,8).
What are the key properties of 3-Amino-3-methyliminopropanamide?
3-Amino-3-methyliminopropanamide has a molecular weight of 115.13 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Amino-3-methyliminopropanamide is sourced from PubChem (CID 15710601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).