ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)

C11H21NW — CID 149229178

IUPACethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)
SMILES[CH2-]C.[CH2-]N1CCC[C@]2(C[C@@H]2C)C1.[W+2]
InChIInChI=1S/C9H16N.C2H5.W/c1-8-6-9(8)4-3-5-10(2)7-9;1-2;/h8H,2-7H2,1H3;1H2,2H3;/q2*-1;+2/t8-,9-;;/m0../s1
InChIKeyXJYWFDHDPNLZGF-CDEWPDHBSA-N
MW351.14 g/mol
LogP2.74
Rot. Bonds

About ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)

ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+) (PubChem CID 149229178) has the molecular formula C11H21NW and a molecular weight of 351.14 g/mol. Its IUPAC name is ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+).

Molecular Properties

Compound Nameethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)
PubChem CID149229178
Molecular FormulaC11H21NW
Molecular Weight351.14 g/mol
Exact Mass351.12
IUPAC Nameethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)
SMILES[CH2-]C.[CH2-]N1CCC[C@]2(C[C@@H]2C)C1.[W+2]
InChIInChI=1S/C9H16N.C2H5.W/c1-8-6-9(8)4-3-5-10(2)7-9;1-2;/h8H,2-7H2,1H3;1H2,2H3;/q2*-1;+2/t8-,9-;;/m0../s1
InChIKeyXJYWFDHDPNLZGF-CDEWPDHBSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+) with MolForge

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Related Compounds

(2R)-2-methyl-5-propan-2-yl-5-azaspiro[2.5]octane
CID 118287941
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
(2S)-2-methylspiro[2.2]pentane
CID 153461113
1-methanidyl-3,3-dimethylpyrrolidine
CID 59704518
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
5-propan-2-yl-5-azaspiro[2.5]octan-2-amine
CID 155648637
3,11-dimethyl-3-azaspiro[5.5]undecane
CID 118029302
4-methyl-8-propyl-8-azaspiro[4.5]decane
CID 177177755
(4S)-4-methylspiro[4.4]nonane
CID 148967518
3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 160999736
3-methylspiro[3.5]nonane
CID 57473010
(9R)-9-methylspiro[3.5]nonane
CID 140885739

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)?
The IUPAC name of ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+) (CID 149229178) is ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+).
What is the SMILES notation for ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)?
The canonical SMILES for ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+) is [CH2-]C.[CH2-]N1CCC[C@]2(C[C@@H]2C)C1.[W+2].
What is the InChIKey of ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)?
The InChIKey is XJYWFDHDPNLZGF-CDEWPDHBSA-N. The full InChI is InChI=1S/C9H16N.C2H5.W/c1-8-6-9(8)4-3-5-10(2)7-9;1-2;/h8H,2-7H2,1H3;1H2,2H3;/q2*-1;+2/t8-,9-;;/m0../s1.
What are the key properties of ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+)?
ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+) has a molecular weight of 351.14 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,3R)-5-methanidyl-2-methyl-5-azaspiro[2.5]octane;tungsten(2+) is sourced from PubChem (CID 149229178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).