carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane

C13H29N — CID 161179695

IUPACcarbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane
SMILESC.CC1CC[N+]2(C1)CC(C)C(C)C2.[CH3-]
InChIInChI=1S/C11H22N.CH4.CH3/c1-9-4-5-12(6-9)7-10(2)11(3)8-12;;/h9-11H,4-8H2,1-3H3;1H4;1H3/q+1;;-1
InChIKeyUSGYFEBRYLASGL-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.22
Rot. Bonds

About carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane

carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane (PubChem CID 161179695) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane.

Molecular Properties

Compound Namecarbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane
PubChem CID161179695
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Namecarbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane
SMILESC.CC1CC[N+]2(C1)CC(C)C(C)C2.[CH3-]
InChIInChI=1S/C11H22N.CH4.CH3/c1-9-4-5-12(6-9)7-10(2)11(3)8-12;;/h9-11H,4-8H2,1-3H3;1H4;1H3/q+1;;-1
InChIKeyUSGYFEBRYLASGL-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526
8,9-dimethyl-5-azoniaspiro[4.6]undecane
CID 121299550
carbanide;1,4-dimethyl-5-azoniaspiro[4.5]decane;2,3-dimethyl-5-azoniaspiro[4.5]decane;2,4-dimethyl-5-azoniaspiro[4.5]decane;3,4-dimethyl-5-azoniaspiro[4.5]decane;3-methyl-5-azoniaspiro[4.5]decane;4-methyl-5-azoniaspiro[4.5]decane;1,3,4-trimethyl-5-azoniaspiro[4.5]decane;2,3,4-trimethyl-5-azoniaspiro[4.5]decane
CID 160641412
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
2,4-dimethyl-6-azoniaspiro[5.5]undecane bromide
CID 171336385
4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
CID 20676436
1,2,3,4,7-pentamethylcyclononane
CID 123773414
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
1,3-dimethyl-1-propylpiperidin-1-ium;methane
CID 159441399
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane?
The IUPAC name of carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane (CID 161179695) is carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane.
What is the SMILES notation for carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane?
The canonical SMILES for carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane is C.CC1CC[N+]2(C1)CC(C)C(C)C2.[CH3-].
What is the InChIKey of carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane?
The InChIKey is USGYFEBRYLASGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N.CH4.CH3/c1-9-4-5-12(6-9)7-10(2)11(3)8-12;;/h9-11H,4-8H2,1-3H3;1H4;1H3/q+1;;-1.
What are the key properties of carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane?
carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane has a molecular weight of 199.38 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;2,3,8-trimethyl-5-azoniaspiro[4.4]nonane is sourced from PubChem (CID 161179695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).