3-propan-2-yl-2-azaspiro[3.6]decane

C12H23N — CID 126970883

IUPAC3-propan-2-yl-2-azaspiro[3.6]decane
SMILESCC(C)C1NCC12CCCCCC2
InChIInChI=1S/C12H23N/c1-10(2)11-12(9-13-11)7-5-3-4-6-8-12/h10-11,13H,3-9H2,1-2H3
InChIKeyBPISNDDDCUHALG-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds1

About 3-propan-2-yl-2-azaspiro[3.6]decane

3-propan-2-yl-2-azaspiro[3.6]decane (PubChem CID 126970883) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-propan-2-yl-2-azaspiro[3.6]decane.

Molecular Properties

Compound Name3-propan-2-yl-2-azaspiro[3.6]decane
PubChem CID126970883
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-propan-2-yl-2-azaspiro[3.6]decane
SMILESCC(C)C1NCC12CCCCCC2
InChIInChI=1S/C12H23N/c1-10(2)11-12(9-13-11)7-5-3-4-6-8-12/h10-11,13H,3-9H2,1-2H3
InChIKeyBPISNDDDCUHALG-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-2-azaspiro[3.6]decane 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-propan-2-yl-2-azaspiro[3.6]decane?
The IUPAC name of 3-propan-2-yl-2-azaspiro[3.6]decane (CID 126970883) is 3-propan-2-yl-2-azaspiro[3.6]decane.
What is the SMILES notation for 3-propan-2-yl-2-azaspiro[3.6]decane?
The canonical SMILES for 3-propan-2-yl-2-azaspiro[3.6]decane is CC(C)C1NCC12CCCCCC2.
What is the InChIKey of 3-propan-2-yl-2-azaspiro[3.6]decane?
The InChIKey is BPISNDDDCUHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11-12(9-13-11)7-5-3-4-6-8-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-azaspiro[3.6]decane?
3-propan-2-yl-2-azaspiro[3.6]decane has a molecular weight of 181.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-azaspiro[3.6]decane is sourced from PubChem (CID 126970883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).