benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)

C15H30N2O2W — CID 160729917

IUPACbenzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)
SMILESCC(O)C[NH-].CCNCC(C)O.[CH3-].[W+2].c1ccccc1
InChIInChI=1S/C6H6.C5H13NO.C3H8NO.CH3.W/c1-2-4-6-5-3-1;1-3-6-4-5(2)7;1-3(5)2-4;;/h1-6H;5-7H,3-4H2,1-2H3;3-5H,2H2,1H3;1H3;/q;;2*-1;+2
InChIKeyRUEVGFGBWSFLTR-UHFFFAOYSA-N
MW454.26 g/mol
LogP2.53
Rot. Bonds4

About benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)

benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+) (PubChem CID 160729917) has the molecular formula C15H30N2O2W and a molecular weight of 454.26 g/mol. Its IUPAC name is benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+).

Molecular Properties

Compound Namebenzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)
PubChem CID160729917
Molecular FormulaC15H30N2O2W
Molecular Weight454.26 g/mol
Exact Mass454.18
IUPAC Namebenzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)
SMILESCC(O)C[NH-].CCNCC(C)O.[CH3-].[W+2].c1ccccc1
InChIInChI=1S/C6H6.C5H13NO.C3H8NO.CH3.W/c1-2-4-6-5-3-1;1-3-6-4-5(2)7;1-3(5)2-4;;/h1-6H;5-7H,3-4H2,1-2H3;3-5H,2H2,1H3;1H3;/q;;2*-1;+2
InChIKeyRUEVGFGBWSFLTR-UHFFFAOYSA-N
XLogP2.53
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 52.53
H-Bond Donors ≤ 53
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 benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)?
The IUPAC name of benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+) (CID 160729917) is benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+).
What is the SMILES notation for benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)?
The canonical SMILES for benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+) is CC(O)C[NH-].CCNCC(C)O.[CH3-].[W+2].c1ccccc1.
What is the InChIKey of benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)?
The InChIKey is RUEVGFGBWSFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H13NO.C3H8NO.CH3.W/c1-2-4-6-5-3-1;1-3-6-4-5(2)7;1-3(5)2-4;;/h1-6H;5-7H,3-4H2,1-2H3;3-5H,2H2,1H3;1H3;/q;;2*-1;+2.
What are the key properties of benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+)?
benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+) has a molecular weight of 454.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;1-(ethylamino)propan-2-ol;2-hydroxypropylazanide;tungsten(2+) is sourced from PubChem (CID 160729917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).