3-azaspiro[5.5]undecan-3-ylazanium

C10H21N2+ — CID 58531223

IUPAC3-azaspiro[5.5]undecan-3-ylazanium
SMILES[NH3+]N1CCC2(CCCCC2)CC1
InChIInChI=1S/C10H20N2/c11-12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,11H2/p+1
InChIKeyBUBYNYDUDYRPGG-UHFFFAOYSA-O
MW169.29 g/mol
LogP1.19
Rot. Bonds

About 3-azaspiro[5.5]undecan-3-ylazanium

3-azaspiro[5.5]undecan-3-ylazanium (PubChem CID 58531223) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-ylazanium.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-ylazanium
PubChem CID58531223
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name3-azaspiro[5.5]undecan-3-ylazanium
SMILES[NH3+]N1CCC2(CCCCC2)CC1
InChIInChI=1S/C10H20N2/c11-12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,11H2/p+1
InChIKeyBUBYNYDUDYRPGG-UHFFFAOYSA-O
XLogP1.19
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-ylazanium?
The IUPAC name of 3-azaspiro[5.5]undecan-3-ylazanium (CID 58531223) is 3-azaspiro[5.5]undecan-3-ylazanium.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-ylazanium?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-ylazanium is [NH3+]N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-ylazanium?
The InChIKey is BUBYNYDUDYRPGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2/c11-12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,11H2/p+1.
What are the key properties of 3-azaspiro[5.5]undecan-3-ylazanium?
3-azaspiro[5.5]undecan-3-ylazanium has a molecular weight of 169.29 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-ylazanium is sourced from PubChem (CID 58531223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).