3-amino-3-ethylimino-N-methylpropanamide

C6H13N3O — CID 58823161

IUPAC3-amino-3-ethylimino-N-methylpropanamide
SMILESCC/N=C(\N)CC(=O)NC
InChIInChI=1S/C6H13N3O/c1-3-9-5(7)4-6(10)8-2/h3-4H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyKIFXISJHZHLBOD-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.50
Rot. Bonds3

About 3-amino-3-ethylimino-N-methylpropanamide

3-amino-3-ethylimino-N-methylpropanamide (PubChem CID 58823161) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-3-ethylimino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-ethylimino-N-methylpropanamide
PubChem CID58823161
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-amino-3-ethylimino-N-methylpropanamide
SMILESCC/N=C(\N)CC(=O)NC
InChIInChI=1S/C6H13N3O/c1-3-9-5(7)4-6(10)8-2/h3-4H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyKIFXISJHZHLBOD-UHFFFAOYSA-N
XLogP-0.50
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.50
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

3-Amino-3-methyliminopropanamide
CID 15710601
N-methyl-2-(3H-1,2,4-triazol-5-yl)acetamide
CID 20806827
3-Amino-3-ethyliminopropanamide
CID 22056426
3-(Methylamino)-3-methyliminopropanamide
CID 22056440
3-(Ethylamino)-3-ethyliminopropanamide
CID 22056443
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)acetamide
CID 22056455
2-(N'-hydroxycarbamimidoyl)-N-methylacetamide
CID 43155974
3-amino-3-imino-N-methylpropanamide
CID 53277858
2,4-diamino-2,5-dihydro-1H-pyrimidin-6-one
CID 54193617
3-(diaminomethylideneamino)-N-methylpropanamide
CID 54278756
2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylacetamide
CID 54336256
3-amino-N-methyl-3-methyliminopropanamide
CID 58823165

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethylimino-N-methylpropanamide?
The IUPAC name of 3-amino-3-ethylimino-N-methylpropanamide (CID 58823161) is 3-amino-3-ethylimino-N-methylpropanamide.
What is the SMILES notation for 3-amino-3-ethylimino-N-methylpropanamide?
The canonical SMILES for 3-amino-3-ethylimino-N-methylpropanamide is CC/N=C(\N)CC(=O)NC.
What is the InChIKey of 3-amino-3-ethylimino-N-methylpropanamide?
The InChIKey is KIFXISJHZHLBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-9-5(7)4-6(10)8-2/h3-4H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of 3-amino-3-ethylimino-N-methylpropanamide?
3-amino-3-ethylimino-N-methylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethylimino-N-methylpropanamide is sourced from PubChem (CID 58823161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).