5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)

C13H28N2OW — CID 21043834

IUPAC5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)
SMILES[CH2-]C(=O)CC(C)CN(C)CC.[CH2-]N(C)CC.[W+2]
InChIInChI=1S/C9H18NO.C4H10N.W/c1-5-10(4)7-8(2)6-9(3)11;1-4-5(2)3;/h8H,3,5-7H2,1-2,4H3;2,4H2,1,3H3;/q2*-1;+2
InChIKeyHVLYTMWORPCMIT-UHFFFAOYSA-N
MW412.22 g/mol
LogP2.09
Rot. Bonds6

About 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)

5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+) (PubChem CID 21043834) has the molecular formula C13H28N2OW and a molecular weight of 412.22 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+).

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)
PubChem CID21043834
Molecular FormulaC13H28N2OW
Molecular Weight412.22 g/mol
Exact Mass412.17
IUPAC Name5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)
SMILES[CH2-]C(=O)CC(C)CN(C)CC.[CH2-]N(C)CC.[W+2]
InChIInChI=1S/C9H18NO.C4H10N.W/c1-5-10(4)7-8(2)6-9(3)11;1-4-5(2)3;/h8H,3,5-7H2,1-2,4H3;2,4H2,1,3H3;/q2*-1;+2
InChIKeyHVLYTMWORPCMIT-UHFFFAOYSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)?
The IUPAC name of 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+) (CID 21043834) is 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+).
What is the SMILES notation for 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)?
The canonical SMILES for 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+) is [CH2-]C(=O)CC(C)CN(C)CC.[CH2-]N(C)CC.[W+2].
What is the InChIKey of 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)?
The InChIKey is HVLYTMWORPCMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.C4H10N.W/c1-5-10(4)7-8(2)6-9(3)11;1-4-5(2)3;/h8H,3,5-7H2,1-2,4H3;2,4H2,1,3H3;/q2*-1;+2.
What are the key properties of 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+)?
5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+) has a molecular weight of 412.22 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-4-methylpentan-2-one;N-methanidyl-N-methylethanamine;tungsten(2+) is sourced from PubChem (CID 21043834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).