[N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium

C6H13N4OY- — CID 168847602

IUPAC[N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium
SMILES[H]/N=C(\[NH-])NC(=O)NC(C)(C)C.[Y]
InChIInChI=1S/C6H14N4O.Y/c1-6(2,3)10-5(11)9-4(7)8;/h1-3H3,(H5,7,8,9,10,11);/p-1
InChIKeyBVNYWZORVRIROW-UHFFFAOYSA-M
MW246.10 g/mol
LogP1.07
Rot. Bonds

About [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium

[N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium (PubChem CID 168847602) has the molecular formula C6H13N4OY- and a molecular weight of 246.10 g/mol. Its IUPAC name is [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium.

Molecular Properties

Compound Name[N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium
PubChem CID168847602
Molecular FormulaC6H13N4OY-
Molecular Weight246.10 g/mol
Exact Mass246.02
IUPAC Name[N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium
SMILES[H]/N=C(\[NH-])NC(=O)NC(C)(C)C.[Y]
InChIInChI=1S/C6H14N4O.Y/c1-6(2,3)10-5(11)9-4(7)8;/h1-3H3,(H5,7,8,9,10,11);/p-1
InChIKeyBVNYWZORVRIROW-UHFFFAOYSA-M
XLogP1.07
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium?
The IUPAC name of [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium (CID 168847602) is [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium.
What is the SMILES notation for [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium?
The canonical SMILES for [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium is [H]/N=C(\[NH-])NC(=O)NC(C)(C)C.[Y].
What is the InChIKey of [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium?
The InChIKey is BVNYWZORVRIROW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N4O.Y/c1-6(2,3)10-5(11)9-4(7)8;/h1-3H3,(H5,7,8,9,10,11);/p-1.
What are the key properties of [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium?
[N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium has a molecular weight of 246.10 g/mol, XLogP of 1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(tert-butylcarbamoyl)carbamimidoyl]azanide;yttrium is sourced from PubChem (CID 168847602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).