1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione

C10H18N2O2 — CID 63194643

IUPAC1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione
SMILESCC(C)(CN)N1C(=O)CCCCC1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,7-11)12-8(13)5-3-4-6-9(12)14/h3-7,11H2,1-2H3
InChIKeyKADZVJNKJGPPHK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.65
Rot. Bonds2

About 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione

1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione (PubChem CID 63194643) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione
PubChem CID63194643
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione
SMILESCC(C)(CN)N1C(=O)CCCCC1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,7-11)12-8(13)5-3-4-6-9(12)14/h3-7,11H2,1-2H3
InChIKeyKADZVJNKJGPPHK-UHFFFAOYSA-N
XLogP0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione 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 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione (CID 63194643) is 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione is CC(C)(CN)N1C(=O)CCCCC1=O.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione?
The InChIKey is KADZVJNKJGPPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,7-11)12-8(13)5-3-4-6-9(12)14/h3-7,11H2,1-2H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione?
1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione has a molecular weight of 198.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)azepane-2,7-dione is sourced from PubChem (CID 63194643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).