N-(6,6-dimethylazepin-3-yl)acetamide

C10H14N2O — CID 91545694

IUPACN-(6,6-dimethylazepin-3-yl)acetamide
SMILESCC(=O)NC1=CN=CC(C)(C)C=C1
InChIInChI=1S/C10H14N2O/c1-8(13)12-9-4-5-10(2,3)7-11-6-9/h4-7H,1-3H3,(H,12,13)
InChIKeyHPKMIPFOTXQGTB-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.63
Rot. Bonds1

About N-(6,6-dimethylazepin-3-yl)acetamide

N-(6,6-dimethylazepin-3-yl)acetamide (PubChem CID 91545694) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(6,6-dimethylazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6,6-dimethylazepin-3-yl)acetamide
PubChem CID91545694
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-(6,6-dimethylazepin-3-yl)acetamide
SMILESCC(=O)NC1=CN=CC(C)(C)C=C1
InChIInChI=1S/C10H14N2O/c1-8(13)12-9-4-5-10(2,3)7-11-6-9/h4-7H,1-3H3,(H,12,13)
InChIKeyHPKMIPFOTXQGTB-UHFFFAOYSA-N
XLogP1.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethylazepin-3-yl)acetamide?
The IUPAC name of N-(6,6-dimethylazepin-3-yl)acetamide (CID 91545694) is N-(6,6-dimethylazepin-3-yl)acetamide.
What is the SMILES notation for N-(6,6-dimethylazepin-3-yl)acetamide?
The canonical SMILES for N-(6,6-dimethylazepin-3-yl)acetamide is CC(=O)NC1=CN=CC(C)(C)C=C1.
What is the InChIKey of N-(6,6-dimethylazepin-3-yl)acetamide?
The InChIKey is HPKMIPFOTXQGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)12-9-4-5-10(2,3)7-11-6-9/h4-7H,1-3H3,(H,12,13).
What are the key properties of N-(6,6-dimethylazepin-3-yl)acetamide?
N-(6,6-dimethylazepin-3-yl)acetamide has a molecular weight of 178.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethylazepin-3-yl)acetamide is sourced from PubChem (CID 91545694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).