spiro[5.5]undecan-3-ylmethylazanium

C12H24N+ — CID 58073628

IUPACspiro[5.5]undecan-3-ylmethylazanium
SMILES[NH3+]CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2/p+1
InChIKeyWJWJUXLLYMXVCZ-UHFFFAOYSA-O
MW182.33 g/mol
LogP2.37
Rot. Bonds1

About spiro[5.5]undecan-3-ylmethylazanium

spiro[5.5]undecan-3-ylmethylazanium (PubChem CID 58073628) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is spiro[5.5]undecan-3-ylmethylazanium.

Molecular Properties

Compound Namespiro[5.5]undecan-3-ylmethylazanium
PubChem CID58073628
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Namespiro[5.5]undecan-3-ylmethylazanium
SMILES[NH3+]CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2/p+1
InChIKeyWJWJUXLLYMXVCZ-UHFFFAOYSA-O
XLogP2.37
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
3-propylspiro[5.6]dodecane
CID 163613469
spiro[5.6]dodecan-3-amine
CID 56639662
N-methyl-1-spiro[5.5]undecan-3-ylmethanamine
CID 83907913
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
2-spiro[4.5]decan-8-ylethanol
CID 126844404
3-methylspiro[5.6]dodecane
CID 143797283
spiro[2.7]decane
CID 12657449
7-propylspiro[3.5]nonane
CID 144910869
methyl 2-spiro[5.5]undecan-3-ylacetate
CID 118404685
spiro[4.4]nonane
CID 90780660
bicyclo[2.2.1]heptane;spiro[5.5]undecane
CID 157147118

Frequently Asked Questions

What is the IUPAC name of spiro[5.5]undecan-3-ylmethylazanium?
The IUPAC name of spiro[5.5]undecan-3-ylmethylazanium (CID 58073628) is spiro[5.5]undecan-3-ylmethylazanium.
What is the SMILES notation for spiro[5.5]undecan-3-ylmethylazanium?
The canonical SMILES for spiro[5.5]undecan-3-ylmethylazanium is [NH3+]CC1CCC2(CCCCC2)CC1.
What is the InChIKey of spiro[5.5]undecan-3-ylmethylazanium?
The InChIKey is WJWJUXLLYMXVCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2/p+1.
What are the key properties of spiro[5.5]undecan-3-ylmethylazanium?
spiro[5.5]undecan-3-ylmethylazanium has a molecular weight of 182.33 g/mol, XLogP of 2.37, 1 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-ylmethylazanium is sourced from PubChem (CID 58073628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).