ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)

C10H22N2W — CID 157075887

IUPACethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)
SMILESC.[CH2-]C.[CH2-]N1C[C@@H]2CN(C)[C@@H]2C1.[W+2]
InChIInChI=1S/C7H13N2.C2H5.CH4.W/c1-8-3-6-4-9(2)7(6)5-8;1-2;;/h6-7H,1,3-5H2,2H3;1H2,2H3;1H4;/q2*-1;;+2/t6-,7-;;;/m1.../s1
InChIKeyACYUXAXYIKUQRJ-YFJLMHTMSA-N
MW354.14 g/mol
LogP1.50
Rot. Bonds

About ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)

ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+) (PubChem CID 157075887) has the molecular formula C10H22N2W and a molecular weight of 354.14 g/mol. Its IUPAC name is ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+).

Molecular Properties

Compound Nameethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)
PubChem CID157075887
Molecular FormulaC10H22N2W
Molecular Weight354.14 g/mol
Exact Mass354.13
IUPAC Nameethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)
SMILESC.[CH2-]C.[CH2-]N1C[C@@H]2CN(C)[C@@H]2C1.[W+2]
InChIInChI=1S/C7H13N2.C2H5.CH4.W/c1-8-3-6-4-9(2)7(6)5-8;1-2;;/h6-7H,1,3-5H2,2H3;1H2,2H3;1H4;/q2*-1;;+2/t6-,7-;;;/m1.../s1
InChIKeyACYUXAXYIKUQRJ-YFJLMHTMSA-N
XLogP1.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
CID 144525202
(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
CID 129230068
ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)
CID 158839995
1-(5-methanidyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 59704487
2-methyl-5-propan-2-yl-2-azabicyclo[2.1.1]hexane
CID 174197326
(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptane;dihydrochloride
CID 135392599
2,5,6-trimethyl-2-azabicyclo[2.2.2]octane
CID 20664057
N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide
CID 170730136
[5-[(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]boronic acid
CID 68917929
(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane
CID 142440717
(2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)methanamine
CID 130003083
N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
CID 178011671

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)?
The IUPAC name of ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+) (CID 157075887) is ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+).
What is the SMILES notation for ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)?
The canonical SMILES for ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+) is C.[CH2-]C.[CH2-]N1C[C@@H]2CN(C)[C@@H]2C1.[W+2].
What is the InChIKey of ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)?
The InChIKey is ACYUXAXYIKUQRJ-YFJLMHTMSA-N. The full InChI is InChI=1S/C7H13N2.C2H5.CH4.W/c1-8-3-6-4-9(2)7(6)5-8;1-2;;/h6-7H,1,3-5H2,2H3;1H2,2H3;1H4;/q2*-1;;+2/t6-,7-;;;/m1.../s1.
What are the key properties of ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)?
ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+) has a molecular weight of 354.14 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+) is sourced from PubChem (CID 157075887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).