7-azatricyclo[3.2.1.01,4]octane

C7H11N — CID 123313654

IUPAC7-azatricyclo[3.2.1.01,4]octane
SMILESC1NC23CCC2C1C3
InChIInChI=1S/C7H11N/c1-2-7-3-5(4-8-7)6(1)7/h5-6,8H,1-4H2
InChIKeyGFVPSOPHTMORKM-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.76
Rot. Bonds

About 7-azatricyclo[3.2.1.01,4]octane

7-azatricyclo[3.2.1.01,4]octane (PubChem CID 123313654) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 7-azatricyclo[3.2.1.01,4]octane.

Molecular Properties

Compound Name7-azatricyclo[3.2.1.01,4]octane
PubChem CID123313654
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name7-azatricyclo[3.2.1.01,4]octane
SMILESC1NC23CCC2C1C3
InChIInChI=1S/C7H11N/c1-2-7-3-5(4-8-7)6(1)7/h5-6,8H,1-4H2
InChIKeyGFVPSOPHTMORKM-UHFFFAOYSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-azatricyclo[3.2.1.01,4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azatricyclo[5.2.2.01,4]undecane
CID 169095034
7-cyclobutyl-4-azaspiro[2.4]heptane
CID 105429635
12-azatetracyclo[6.3.1.01,4.05,8]dodecane;ethane
CID 176988045
tricyclo[3.2.1.01,4]octane
CID 90707927
2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine
CID 177172958
4-cyclopropyl-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270856
1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane
CID 139446370
8-iodo-5-azaspiro[3.5]nonane
CID 170139848
(3R)-3-methyl-1-azaspiro[3.4]octane
CID 170058440
7-(2-azaspiro[3.4]octan-6-yl)-2,5-diazaspiro[3.4]octane
CID 134443835
(6R,7R,8S)-8-(2,2-difluorocyclopropyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118199683
4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270860

Frequently Asked Questions

What is the IUPAC name of 7-azatricyclo[3.2.1.01,4]octane?
The IUPAC name of 7-azatricyclo[3.2.1.01,4]octane (CID 123313654) is 7-azatricyclo[3.2.1.01,4]octane.
What is the SMILES notation for 7-azatricyclo[3.2.1.01,4]octane?
The canonical SMILES for 7-azatricyclo[3.2.1.01,4]octane is C1NC23CCC2C1C3.
What is the InChIKey of 7-azatricyclo[3.2.1.01,4]octane?
The InChIKey is GFVPSOPHTMORKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-3-5(4-8-7)6(1)7/h5-6,8H,1-4H2.
What are the key properties of 7-azatricyclo[3.2.1.01,4]octane?
7-azatricyclo[3.2.1.01,4]octane has a molecular weight of 109.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatricyclo[3.2.1.01,4]octane is sourced from PubChem (CID 123313654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).