spiro[5.5]undecan-3-ylazanium chloride

C11H22ClN — CID 66709595

IUPACspiro[5.5]undecan-3-ylazanium chloride
SMILES[Cl-].[NH3+]C1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H21N.ClH/c12-10-4-8-11(9-5-10)6-2-1-3-7-11;/h10H,1-9,12H2;1H
InChIKeyGGRJLXHNQKZAPJ-UHFFFAOYSA-N
MW203.76 g/mol
LogP-0.87
Rot. Bonds

About spiro[5.5]undecan-3-ylazanium chloride

spiro[5.5]undecan-3-ylazanium chloride (PubChem CID 66709595) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is spiro[5.5]undecan-3-ylazanium chloride.

Molecular Properties

Compound Namespiro[5.5]undecan-3-ylazanium chloride
PubChem CID66709595
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Namespiro[5.5]undecan-3-ylazanium chloride
SMILES[Cl-].[NH3+]C1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H21N.ClH/c12-10-4-8-11(9-5-10)6-2-1-3-7-11;/h10H,1-9,12H2;1H
InChIKeyGGRJLXHNQKZAPJ-UHFFFAOYSA-N
XLogP-0.87
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[5.5]undecan-3-ylazanium chloride?
The IUPAC name of spiro[5.5]undecan-3-ylazanium chloride (CID 66709595) is spiro[5.5]undecan-3-ylazanium chloride.
What is the SMILES notation for spiro[5.5]undecan-3-ylazanium chloride?
The canonical SMILES for spiro[5.5]undecan-3-ylazanium chloride is [Cl-].[NH3+]C1CCC2(CCCCC2)CC1.
What is the InChIKey of spiro[5.5]undecan-3-ylazanium chloride?
The InChIKey is GGRJLXHNQKZAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c12-10-4-8-11(9-5-10)6-2-1-3-7-11;/h10H,1-9,12H2;1H.
What are the key properties of spiro[5.5]undecan-3-ylazanium chloride?
spiro[5.5]undecan-3-ylazanium chloride has a molecular weight of 203.76 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecan-3-ylazanium chloride is sourced from PubChem (CID 66709595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).