3-amino-2-methyl-3-propan-2-yliminopropanamide

C7H15N3O — CID 154458994

IUPAC3-amino-2-methyl-3-propan-2-yliminopropanamide
SMILESCC(C)/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-4(2)10-6(8)5(3)7(9)11/h4-5H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyQVTUIHDKXFAEQX-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.13
Rot. Bonds3

About 3-amino-2-methyl-3-propan-2-yliminopropanamide

3-amino-2-methyl-3-propan-2-yliminopropanamide (PubChem CID 154458994) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-amino-2-methyl-3-propan-2-yliminopropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-propan-2-yliminopropanamide
PubChem CID154458994
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-amino-2-methyl-3-propan-2-yliminopropanamide
SMILESCC(C)/N=C(\N)C(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-4(2)10-6(8)5(3)7(9)11/h4-5H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyQVTUIHDKXFAEQX-UHFFFAOYSA-N
XLogP-0.13
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.13
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-propan-2-yliminopropanamide 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-propan-2-yliminopropanamide?
The IUPAC name of 3-amino-2-methyl-3-propan-2-yliminopropanamide (CID 154458994) is 3-amino-2-methyl-3-propan-2-yliminopropanamide.
What is the SMILES notation for 3-amino-2-methyl-3-propan-2-yliminopropanamide?
The canonical SMILES for 3-amino-2-methyl-3-propan-2-yliminopropanamide is CC(C)/N=C(\N)C(C)C(N)=O.
What is the InChIKey of 3-amino-2-methyl-3-propan-2-yliminopropanamide?
The InChIKey is QVTUIHDKXFAEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4(2)10-6(8)5(3)7(9)11/h4-5H,1-3H3,(H2,8,10)(H2,9,11).
What are the key properties of 3-amino-2-methyl-3-propan-2-yliminopropanamide?
3-amino-2-methyl-3-propan-2-yliminopropanamide has a molecular weight of 157.22 g/mol, XLogP of -0.13, 3 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-propan-2-yliminopropanamide is sourced from PubChem (CID 154458994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).