3-amino-2-methyl-3-propyliminopropanamide

C7H15N3O — CID 154311434

IUPAC3-amino-2-methyl-3-propyliminopropanamide
SMILESCCC/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-10-6(8)5(2)7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyPCEPIKLSYLAXMG-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.12
Rot. Bonds4

About 3-amino-2-methyl-3-propyliminopropanamide

3-amino-2-methyl-3-propyliminopropanamide (PubChem CID 154311434) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-amino-2-methyl-3-propyliminopropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-propyliminopropanamide
PubChem CID154311434
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-amino-2-methyl-3-propyliminopropanamide
SMILESCCC/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-10-6(8)5(2)7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyPCEPIKLSYLAXMG-UHFFFAOYSA-N
XLogP-0.12
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.12
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'}

Analyze 3-amino-2-methyl-3-propyliminopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-propyliminopropanamide?
The IUPAC name of 3-amino-2-methyl-3-propyliminopropanamide (CID 154311434) is 3-amino-2-methyl-3-propyliminopropanamide.
What is the SMILES notation for 3-amino-2-methyl-3-propyliminopropanamide?
The canonical SMILES for 3-amino-2-methyl-3-propyliminopropanamide is CCC/N=C(\N)C(C)C(N)=O.
What is the InChIKey of 3-amino-2-methyl-3-propyliminopropanamide?
The InChIKey is PCEPIKLSYLAXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-4-10-6(8)5(2)7(9)11/h5H,3-4H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 3-amino-2-methyl-3-propyliminopropanamide?
3-amino-2-methyl-3-propyliminopropanamide has a molecular weight of 157.22 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-propyliminopropanamide is sourced from PubChem (CID 154311434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).