3,3-diethylazocane

C11H23N — CID 18957809

IUPAC3,3-diethylazocane
SMILESCCC1(CC)CCCCCNC1
InChIInChI=1S/C11H23N/c1-3-11(4-2)8-6-5-7-9-12-10-11/h12H,3-10H2,1-2H3
InChIKeyOVTCENNJUBJEGX-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds2

About 3,3-diethylazocane

3,3-diethylazocane (PubChem CID 18957809) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3,3-diethylazocane.

Molecular Properties

Compound Name3,3-diethylazocane
PubChem CID18957809
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3,3-diethylazocane
SMILESCCC1(CC)CCCCCNC1
InChIInChI=1S/C11H23N/c1-3-11(4-2)8-6-5-7-9-12-10-11/h12H,3-10H2,1-2H3
InChIKeyOVTCENNJUBJEGX-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-diethylazocane 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 3,3-diethylazocane?
The IUPAC name of 3,3-diethylazocane (CID 18957809) is 3,3-diethylazocane.
What is the SMILES notation for 3,3-diethylazocane?
The canonical SMILES for 3,3-diethylazocane is CCC1(CC)CCCCCNC1.
What is the InChIKey of 3,3-diethylazocane?
The InChIKey is OVTCENNJUBJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-11(4-2)8-6-5-7-9-12-10-11/h12H,3-10H2,1-2H3.
What are the key properties of 3,3-diethylazocane?
3,3-diethylazocane has a molecular weight of 169.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylazocane is sourced from PubChem (CID 18957809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).