3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine

C12H22N2 — CID 164652529

IUPAC3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine
SMILESNC1CC(CN2C3CCCC2CC3)C1
InChIInChI=1S/C12H22N2/c13-10-6-9(7-10)8-14-11-2-1-3-12(14)5-4-11/h9-12H,1-8,13H2
InChIKeyKEDCPTDHEDKUMS-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.74
Rot. Bonds2

About 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine

3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine (PubChem CID 164652529) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine
PubChem CID164652529
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine
SMILESNC1CC(CN2C3CCCC2CC3)C1
InChIInChI=1S/C12H22N2/c13-10-6-9(7-10)8-14-11-2-1-3-12(14)5-4-11/h9-12H,1-8,13H2
InChIKeyKEDCPTDHEDKUMS-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-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 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine (CID 164652529) is 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine is NC1CC(CN2C3CCCC2CC3)C1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine?
The InChIKey is KEDCPTDHEDKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-10-6-9(7-10)8-14-11-2-1-3-12(14)5-4-11/h9-12H,1-8,13H2.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine?
3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 164652529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).