3-amino-6,6-dimethylazepan-2-one

C8H16N2O — CID 18680346

IUPAC3-amino-6,6-dimethylazepan-2-one
SMILESCC1(C)CCC(N)C(=O)NC1
InChIInChI=1S/C8H16N2O/c1-8(2)4-3-6(9)7(11)10-5-8/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyDAAUVPACSPNLFT-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.25
Rot. Bonds

About 3-amino-6,6-dimethylazepan-2-one

3-amino-6,6-dimethylazepan-2-one (PubChem CID 18680346) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-amino-6,6-dimethylazepan-2-one.

Molecular Properties

Compound Name3-amino-6,6-dimethylazepan-2-one
PubChem CID18680346
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-amino-6,6-dimethylazepan-2-one
SMILESCC1(C)CCC(N)C(=O)NC1
InChIInChI=1S/C8H16N2O/c1-8(2)4-3-6(9)7(11)10-5-8/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyDAAUVPACSPNLFT-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-6,6-dimethylazepan-2-one 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-6,6-dimethylazepan-2-one?
The IUPAC name of 3-amino-6,6-dimethylazepan-2-one (CID 18680346) is 3-amino-6,6-dimethylazepan-2-one.
What is the SMILES notation for 3-amino-6,6-dimethylazepan-2-one?
The canonical SMILES for 3-amino-6,6-dimethylazepan-2-one is CC1(C)CCC(N)C(=O)NC1.
What is the InChIKey of 3-amino-6,6-dimethylazepan-2-one?
The InChIKey is DAAUVPACSPNLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)4-3-6(9)7(11)10-5-8/h6H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-6,6-dimethylazepan-2-one?
3-amino-6,6-dimethylazepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethylazepan-2-one is sourced from PubChem (CID 18680346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).