9-deuterio-3-azaspiro[5.5]undecane

C10H19N — CID 175919435

IUPAC9-deuterio-3-azaspiro[5.5]undecane
SMILES[2H]C1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2/i1D
InChIKeyLIZKZVQBLDHKCY-MICDWDOJSA-N
MW154.28 g/mol
LogP2.32
Rot. Bonds

About 9-deuterio-3-azaspiro[5.5]undecane

9-deuterio-3-azaspiro[5.5]undecane (PubChem CID 175919435) has the molecular formula C10H19N and a molecular weight of 154.28 g/mol. Its IUPAC name is 9-deuterio-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-deuterio-3-azaspiro[5.5]undecane
PubChem CID175919435
Molecular FormulaC10H19N
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name9-deuterio-3-azaspiro[5.5]undecane
SMILES[2H]C1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2/i1D
InChIKeyLIZKZVQBLDHKCY-MICDWDOJSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-deuterio-3-azaspiro[5.5]undecane?
The IUPAC name of 9-deuterio-3-azaspiro[5.5]undecane (CID 175919435) is 9-deuterio-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-deuterio-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-deuterio-3-azaspiro[5.5]undecane is [2H]C1CCC2(CCNCC2)CC1.
What is the InChIKey of 9-deuterio-3-azaspiro[5.5]undecane?
The InChIKey is LIZKZVQBLDHKCY-MICDWDOJSA-N. The full InChI is InChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2/i1D.
What are the key properties of 9-deuterio-3-azaspiro[5.5]undecane?
9-deuterio-3-azaspiro[5.5]undecane has a molecular weight of 154.28 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-deuterio-3-azaspiro[5.5]undecane is sourced from PubChem (CID 175919435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).