12-azadispiro[3.1.46.34]tridecane

C12H21N — CID 130118799

IUPAC12-azadispiro[3.1.46.34]tridecane
SMILESC1CCC2(C1)CNCC1(CCC1)C2
InChIInChI=1S/C12H21N/c1-2-5-11(4-1)8-12(6-3-7-12)10-13-9-11/h13H,1-10H2
InChIKeySDDXBLCVEXTHGY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.71
Rot. Bonds

About 12-azadispiro[3.1.46.34]tridecane

12-azadispiro[3.1.46.34]tridecane (PubChem CID 130118799) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 12-azadispiro[3.1.46.34]tridecane.

Molecular Properties

Compound Name12-azadispiro[3.1.46.34]tridecane
PubChem CID130118799
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name12-azadispiro[3.1.46.34]tridecane
SMILESC1CCC2(C1)CNCC1(CCC1)C2
InChIInChI=1S/C12H21N/c1-2-5-11(4-1)8-12(6-3-7-12)10-13-9-11/h13H,1-10H2
InChIKeySDDXBLCVEXTHGY-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azadispiro[3.1.46.34]tridecane?
The IUPAC name of 12-azadispiro[3.1.46.34]tridecane (CID 130118799) is 12-azadispiro[3.1.46.34]tridecane.
What is the SMILES notation for 12-azadispiro[3.1.46.34]tridecane?
The canonical SMILES for 12-azadispiro[3.1.46.34]tridecane is C1CCC2(C1)CNCC1(CCC1)C2.
What is the InChIKey of 12-azadispiro[3.1.46.34]tridecane?
The InChIKey is SDDXBLCVEXTHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-5-11(4-1)8-12(6-3-7-12)10-13-9-11/h13H,1-10H2.
What are the key properties of 12-azadispiro[3.1.46.34]tridecane?
12-azadispiro[3.1.46.34]tridecane has a molecular weight of 179.31 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azadispiro[3.1.46.34]tridecane is sourced from PubChem (CID 130118799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).