3-amino-3-ethylimino-2-methylpropanamide

C6H13N3O — CID 87477659

IUPAC3-amino-3-ethylimino-2-methylpropanamide
SMILESCC/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C6H13N3O/c1-3-9-5(7)4(2)6(8)10/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyCRJOKANOFDBISU-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.52
Rot. Bonds3

About 3-amino-3-ethylimino-2-methylpropanamide

3-amino-3-ethylimino-2-methylpropanamide (PubChem CID 87477659) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-3-ethylimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-ethylimino-2-methylpropanamide
PubChem CID87477659
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-amino-3-ethylimino-2-methylpropanamide
SMILESCC/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C6H13N3O/c1-3-9-5(7)4(2)6(8)10/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10)
InChIKeyCRJOKANOFDBISU-UHFFFAOYSA-N
XLogP-0.52
TPSA81.47 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 ≤ 5-0.52
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-3-ethylimino-2-methylpropanamide?
The IUPAC name of 3-amino-3-ethylimino-2-methylpropanamide (CID 87477659) is 3-amino-3-ethylimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-3-ethylimino-2-methylpropanamide?
The canonical SMILES for 3-amino-3-ethylimino-2-methylpropanamide is CC/N=C(\N)C(C)C(N)=O.
What is the InChIKey of 3-amino-3-ethylimino-2-methylpropanamide?
The InChIKey is CRJOKANOFDBISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-9-5(7)4(2)6(8)10/h4H,3H2,1-2H3,(H2,7,9)(H2,8,10).
What are the key properties of 3-amino-3-ethylimino-2-methylpropanamide?
3-amino-3-ethylimino-2-methylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.52, 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-2-methylpropanamide is sourced from PubChem (CID 87477659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).