3-amino-2-imino-N-propylpropanamide

C6H13N3O — CID 54157115

IUPAC3-amino-2-imino-N-propylpropanamide
SMILES[H]/N=C(\CN)C(=O)NCCC
InChIInChI=1S/C6H13N3O/c1-2-3-9-6(10)5(8)4-7/h8H,2-4,7H2,1H3,(H,9,10)/b8-5+
InChIKeyOLVUVXQECNLFOW-VMPITWQZSA-N
MW143.19 g/mol
LogP-0.51
Rot. Bonds4

About 3-amino-2-imino-N-propylpropanamide

3-amino-2-imino-N-propylpropanamide (PubChem CID 54157115) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-2-imino-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-2-imino-N-propylpropanamide
PubChem CID54157115
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-amino-2-imino-N-propylpropanamide
SMILES[H]/N=C(\CN)C(=O)NCCC
InChIInChI=1S/C6H13N3O/c1-2-3-9-6(10)5(8)4-7/h8H,2-4,7H2,1H3,(H,9,10)/b8-5+
InChIKeyOLVUVXQECNLFOW-VMPITWQZSA-N
XLogP-0.51
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-imino-N-propylpropanamide?
The IUPAC name of 3-amino-2-imino-N-propylpropanamide (CID 54157115) is 3-amino-2-imino-N-propylpropanamide.
What is the SMILES notation for 3-amino-2-imino-N-propylpropanamide?
The canonical SMILES for 3-amino-2-imino-N-propylpropanamide is [H]/N=C(\CN)C(=O)NCCC.
What is the InChIKey of 3-amino-2-imino-N-propylpropanamide?
The InChIKey is OLVUVXQECNLFOW-VMPITWQZSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-3-9-6(10)5(8)4-7/h8H,2-4,7H2,1H3,(H,9,10)/b8-5+.
What are the key properties of 3-amino-2-imino-N-propylpropanamide?
3-amino-2-imino-N-propylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-imino-N-propylpropanamide is sourced from PubChem (CID 54157115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).