3-amino-3-imino-N-propan-2-ylpropanamide

C6H13N3O — CID 99990041

IUPAC3-amino-3-imino-N-propan-2-ylpropanamide
SMILES[H]/N=C(\N)CC(=O)NC(C)C
InChIInChI=1S/C6H13N3O/c1-4(2)9-6(10)3-5(7)8/h4H,3H2,1-2H3,(H3,7,8)(H,9,10)
InChIKeyOOWKNIOCGJEOHE-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.16
Rot. Bonds3

About 3-amino-3-imino-N-propan-2-ylpropanamide

3-amino-3-imino-N-propan-2-ylpropanamide (PubChem CID 99990041) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-3-imino-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-3-imino-N-propan-2-ylpropanamide
PubChem CID99990041
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-amino-3-imino-N-propan-2-ylpropanamide
SMILES[H]/N=C(\N)CC(=O)NC(C)C
InChIInChI=1S/C6H13N3O/c1-4(2)9-6(10)3-5(7)8/h4H,3H2,1-2H3,(H3,7,8)(H,9,10)
InChIKeyOOWKNIOCGJEOHE-UHFFFAOYSA-N
XLogP-0.16
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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-imino-N-propan-2-ylpropanamide?
The IUPAC name of 3-amino-3-imino-N-propan-2-ylpropanamide (CID 99990041) is 3-amino-3-imino-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-amino-3-imino-N-propan-2-ylpropanamide?
The canonical SMILES for 3-amino-3-imino-N-propan-2-ylpropanamide is [H]/N=C(\N)CC(=O)NC(C)C.
What is the InChIKey of 3-amino-3-imino-N-propan-2-ylpropanamide?
The InChIKey is OOWKNIOCGJEOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(2)9-6(10)3-5(7)8/h4H,3H2,1-2H3,(H3,7,8)(H,9,10).
What are the key properties of 3-amino-3-imino-N-propan-2-ylpropanamide?
3-amino-3-imino-N-propan-2-ylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-imino-N-propan-2-ylpropanamide is sourced from PubChem (CID 99990041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).