carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium

C9H20N2Y-2 — CID 160989045

IUPACcarbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium
SMILESCC.[CH2-]N1CC2(CNC2)C1.[CH3-].[Y]
InChIInChI=1S/C6H11N2.C2H6.CH3.Y/c1-8-4-6(5-8)2-7-3-6;1-2;;/h7H,1-5H2;1-2H3;1H3;/q-1;;-1;
InChIKeyAIGDBUJAKNKCDV-UHFFFAOYSA-N
MW245.18 g/mol
LogP1.16
Rot. Bonds

About carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium

carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium (PubChem CID 160989045) has the molecular formula C9H20N2Y-2 and a molecular weight of 245.18 g/mol. Its IUPAC name is carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium
PubChem CID160989045
Molecular FormulaC9H20N2Y-2
Molecular Weight245.18 g/mol
Exact Mass245.07
IUPAC Namecarbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium
SMILESCC.[CH2-]N1CC2(CNC2)C1.[CH3-].[Y]
InChIInChI=1S/C6H11N2.C2H6.CH3.Y/c1-8-4-6(5-8)2-7-3-6;1-2;;/h7H,1-5H2;1-2H3;1H3;/q-1;;-1;
InChIKeyAIGDBUJAKNKCDV-UHFFFAOYSA-N
XLogP1.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium?
The IUPAC name of carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium (CID 160989045) is carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium.
What is the SMILES notation for carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium?
The canonical SMILES for carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium is CC.[CH2-]N1CC2(CNC2)C1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium?
The InChIKey is AIGDBUJAKNKCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.C2H6.CH3.Y/c1-8-4-6(5-8)2-7-3-6;1-2;;/h7H,1-5H2;1-2H3;1H3;/q-1;;-1;.
What are the key properties of carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium?
carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium has a molecular weight of 245.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2-methanidyl-2,6-diazaspiro[3.3]heptane;yttrium is sourced from PubChem (CID 160989045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).