tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)

C23H47N2Y+2 — CID 23231695

IUPACtert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)
SMILESC1CCCC1.C1CCCC1.CCCC/C(=N\C(C)(C)C)[N-]C(C)(C)C.[Y+3]
InChIInChI=1S/C13H27N2.2C5H10.Y/c1-8-9-10-11(14-12(2,3)4)15-13(5,6)7;2*1-2-4-5-3-1;/h8-10H2,1-7H3;2*1-5H2;/q-1;;;+3
InChIKeyOCMIMFPULBXAAT-UHFFFAOYSA-N
MW440.55 g/mol
LogP8.44
Rot. Bonds3

About tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)

tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+) (PubChem CID 23231695) has the molecular formula C23H47N2Y+2 and a molecular weight of 440.55 g/mol. Its IUPAC name is tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+).

Molecular Properties

Compound Nametert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)
PubChem CID23231695
Molecular FormulaC23H47N2Y+2
Molecular Weight440.55 g/mol
Exact Mass440.28
IUPAC Nametert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)
SMILESC1CCCC1.C1CCCC1.CCCC/C(=N\C(C)(C)C)[N-]C(C)(C)C.[Y+3]
InChIInChI=1S/C13H27N2.2C5H10.Y/c1-8-9-10-11(14-12(2,3)4)15-13(5,6)7;2*1-2-4-5-3-1;/h8-10H2,1-7H3;2*1-5H2;/q-1;;;+3
InChIKeyOCMIMFPULBXAAT-UHFFFAOYSA-N
XLogP8.44
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N'-tert-butylpentanimidamide
CID 61362720
2-chloro-2-methylhexane;cyclobutane
CID 175373010
cyclopentane;ethane;pentane
CID 143543629
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
cyclobutane;ethane;hexane
CID 143857678
cobalt;cyclooctane;pentane
CID 57373062
alumane;cyclohexane;hexane
CID 175455201
N-hept-2-en-3-ylethanimine
CID 23597524
3,4-dimethylocta-1,3-diene
CID 54003351
bis(butan-1-ol);cyclobutane
CID 140562216
cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)?
The IUPAC name of tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+) (CID 23231695) is tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+).
What is the SMILES notation for tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)?
The canonical SMILES for tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+) is C1CCCC1.C1CCCC1.CCCC/C(=N\C(C)(C)C)[N-]C(C)(C)C.[Y+3].
What is the InChIKey of tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)?
The InChIKey is OCMIMFPULBXAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2.2C5H10.Y/c1-8-9-10-11(14-12(2,3)4)15-13(5,6)7;2*1-2-4-5-3-1;/h8-10H2,1-7H3;2*1-5H2;/q-1;;;+3.
What are the key properties of tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)?
tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+) has a molecular weight of 440.55 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+) is sourced from PubChem (CID 23231695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).