2-amino-2-butan-2-ylimino-N-methylacetamide

C7H15N3O — CID 143934533

IUPAC2-amino-2-butan-2-ylimino-N-methylacetamide
SMILESCCC(C)/N=C(\N)C(=O)NC
InChIInChI=1S/C7H15N3O/c1-4-5(2)10-6(8)7(11)9-3/h5H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyPTWRSPAIUICRLS-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds2

About 2-amino-2-butan-2-ylimino-N-methylacetamide

2-amino-2-butan-2-ylimino-N-methylacetamide (PubChem CID 143934533) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-amino-2-butan-2-ylimino-N-methylacetamide.

Molecular Properties

Compound Name2-amino-2-butan-2-ylimino-N-methylacetamide
PubChem CID143934533
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-amino-2-butan-2-ylimino-N-methylacetamide
SMILESCCC(C)/N=C(\N)C(=O)NC
InChIInChI=1S/C7H15N3O/c1-4-5(2)10-6(8)7(11)9-3/h5H,4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyPTWRSPAIUICRLS-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.11
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 2-amino-2-butan-2-ylimino-N-methylacetamide?
The IUPAC name of 2-amino-2-butan-2-ylimino-N-methylacetamide (CID 143934533) is 2-amino-2-butan-2-ylimino-N-methylacetamide.
What is the SMILES notation for 2-amino-2-butan-2-ylimino-N-methylacetamide?
The canonical SMILES for 2-amino-2-butan-2-ylimino-N-methylacetamide is CCC(C)/N=C(\N)C(=O)NC.
What is the InChIKey of 2-amino-2-butan-2-ylimino-N-methylacetamide?
The InChIKey is PTWRSPAIUICRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4-5(2)10-6(8)7(11)9-3/h5H,4H2,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of 2-amino-2-butan-2-ylimino-N-methylacetamide?
2-amino-2-butan-2-ylimino-N-methylacetamide has a molecular weight of 157.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-butan-2-ylimino-N-methylacetamide is sourced from PubChem (CID 143934533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).