8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine

C16H32N2O — CID 158364735

IUPAC8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine
SMILESCCCCCC(N)CC.CN1C2CCC1CC(=O)C2
InChIInChI=1S/C8H13NO.C8H19N/c1-9-6-2-3-7(9)5-8(10)4-6;1-3-5-6-7-8(9)4-2/h6-7H,2-5H2,1H3;8H,3-7,9H2,1-2H3
InChIKeyGTWXEOITZCXSRW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.12
Rot. Bonds5

About 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine

8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine (PubChem CID 158364735) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine
PubChem CID158364735
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine
SMILESCCCCCC(N)CC.CN1C2CCC1CC(=O)C2
InChIInChI=1S/C8H13NO.C8H19N/c1-9-6-2-3-7(9)5-8(10)4-6;1-3-5-6-7-8(9)4-2/h6-7H,2-5H2,1H3;8H,3-7,9H2,1-2H3
InChIKeyGTWXEOITZCXSRW-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine 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 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine (CID 158364735) is 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine is CCCCCC(N)CC.CN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine?
The InChIKey is GTWXEOITZCXSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C8H19N/c1-9-6-2-3-7(9)5-8(10)4-6;1-3-5-6-7-8(9)4-2/h6-7H,2-5H2,1H3;8H,3-7,9H2,1-2H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine?
8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine has a molecular weight of 268.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine is sourced from PubChem (CID 158364735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).