carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium

C7H18N3OWY- — CID 91865840

IUPACcarbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium
SMILESC[CH-]CN(C)/C(N)=N/O.[CH3-].[CH3-].[W+2].[Y]
InChIInChI=1S/C5H12N3O.2CH3.W.Y/c1-3-4-8(2)5(6)7-9;;;;/h3,9H,4H2,1-2H3,(H2,6,7);2*1H3;;/q3*-1;+2;
InChIKeyCLCKUYBDSRAAPD-UHFFFAOYSA-N
MW432.99 g/mol
LogP0.74
Rot. Bonds2

About carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium

carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium (PubChem CID 91865840) has the molecular formula C7H18N3OWY- and a molecular weight of 432.99 g/mol. Its IUPAC name is carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium.

Molecular Properties

Compound Namecarbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium
PubChem CID91865840
Molecular FormulaC7H18N3OWY-
Molecular Weight432.99 g/mol
Exact Mass433.00
IUPAC Namecarbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium
SMILESC[CH-]CN(C)/C(N)=N/O.[CH3-].[CH3-].[W+2].[Y]
InChIInChI=1S/C5H12N3O.2CH3.W.Y/c1-3-4-8(2)5(6)7-9;;;;/h3,9H,4H2,1-2H3,(H2,6,7);2*1H3;;/q3*-1;+2;
InChIKeyCLCKUYBDSRAAPD-UHFFFAOYSA-N
XLogP0.74
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.99
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-(2-hydroxypropyl)-1-methylguanidine
CID 62482690
1-ethyl-1,2-dimethylguanidine
CID 21191499
1-ethyl-1,2-dimethylguanidine;methane
CID 158668223
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 76993513
2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine
CID 76944277
2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 62482069
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
2-hydroxy-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]guanidine
CID 77045933
(2S)-2-amino-5-[[(E)-N'-hydroxycarbamimidoyl]-methylamino]pentanoic acid;dihydrochloride
CID 24787823
1-(3-aminopropyl)-1,2-dimethylguanidine
CID 141013160
1-butan-2-yl-1-ethyl-2-hydroxyguanidine
CID 76944346
1-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-1-methylguanidine
CID 76944247

Frequently Asked Questions

What is the IUPAC name of carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium?
The IUPAC name of carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium (CID 91865840) is carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium.
What is the SMILES notation for carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium?
The canonical SMILES for carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium is C[CH-]CN(C)/C(N)=N/O.[CH3-].[CH3-].[W+2].[Y].
What is the InChIKey of carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium?
The InChIKey is CLCKUYBDSRAAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N3O.2CH3.W.Y/c1-3-4-8(2)5(6)7-9;;;;/h3,9H,4H2,1-2H3,(H2,6,7);2*1H3;;/q3*-1;+2;.
What are the key properties of carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium?
carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium has a molecular weight of 432.99 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-hydroxy-1-methyl-1-propylguanidine;tungsten(2+);yttrium is sourced from PubChem (CID 91865840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).