3-azatricyclo[3.1.1.11,5]octane

C7H11N — CID 105426981

IUPAC3-azatricyclo[3.1.1.11,5]octane
SMILESC1NCC23CC1(C2)C3
InChIInChI=1S/C7H11N/c1-6-2-7(1,3-6)5-8-4-6/h8H,1-5H2
InChIKeyNLUYLGHGSGROOK-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.76
Rot. Bonds

About 3-azatricyclo[3.1.1.11,5]octane

3-azatricyclo[3.1.1.11,5]octane (PubChem CID 105426981) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-azatricyclo[3.1.1.11,5]octane.

Molecular Properties

Compound Name3-azatricyclo[3.1.1.11,5]octane
PubChem CID105426981
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-azatricyclo[3.1.1.11,5]octane
SMILESC1NCC23CC1(C2)C3
InChIInChI=1S/C7H11N/c1-6-2-7(1,3-6)5-8-4-6/h8H,1-5H2
InChIKeyNLUYLGHGSGROOK-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 3-azatricyclo[3.1.1.11,5]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

12-azadispiro[3.1.46.34]tridecane
CID 130118799
2,2-difluoro-8-azadispiro[3.1.36.14]decane;hydrochloride
CID 146155558
8-azadispiro[3.1.36.14]decan-2-ol
CID 155970948
2-azaspiro[3.3]heptane
CID 20521856
2-thia-6-azaspiro[3.3]heptane
CID 55279071
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
CID 169105005
CID 169105005
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
7,7-dimethyl-6-oxa-2-azaspiro[3.4]octane;hydrochloride
CID 165475352
6-chloro-2-azaspiro[3.3]heptane;hydrochloride
CID 146050239

Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[3.1.1.11,5]octane?
The IUPAC name of 3-azatricyclo[3.1.1.11,5]octane (CID 105426981) is 3-azatricyclo[3.1.1.11,5]octane.
What is the SMILES notation for 3-azatricyclo[3.1.1.11,5]octane?
The canonical SMILES for 3-azatricyclo[3.1.1.11,5]octane is C1NCC23CC1(C2)C3.
What is the InChIKey of 3-azatricyclo[3.1.1.11,5]octane?
The InChIKey is NLUYLGHGSGROOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-2-7(1,3-6)5-8-4-6/h8H,1-5H2.
What are the key properties of 3-azatricyclo[3.1.1.11,5]octane?
3-azatricyclo[3.1.1.11,5]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 3-azatricyclo[3.1.1.11,5]octane is sourced from PubChem (CID 105426981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).