4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium

C15H30N2O2Y-2 — CID 149069776

IUPAC4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CC(=O)NN.[Y]
InChIInChI=1S/C12H23O.C3H7N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3(6)5-4;/h9H,1,8H2,2-7H3;1-2,4H2,(H,5,6);/q2*-1;
InChIKeyGGWFNLXFJZCZGP-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.69
Rot. Bonds3

About 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium

4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium (PubChem CID 149069776) has the molecular formula C15H30N2O2Y-2 and a molecular weight of 359.32 g/mol. Its IUPAC name is 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium.

Molecular Properties

Compound Name4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium
PubChem CID149069776
Molecular FormulaC15H30N2O2Y-2
Molecular Weight359.32 g/mol
Exact Mass359.14
IUPAC Name4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CC(=O)NN.[Y]
InChIInChI=1S/C12H23O.C3H7N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3(6)5-4;/h9H,1,8H2,2-7H3;1-2,4H2,(H,5,6);/q2*-1;
InChIKeyGGWFNLXFJZCZGP-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium?
The IUPAC name of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium (CID 149069776) is 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium.
What is the SMILES notation for 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium?
The canonical SMILES for 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium is [CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]CC(=O)NN.[Y].
What is the InChIKey of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium?
The InChIKey is GGWFNLXFJZCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O.C3H7N2O.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-2-3(6)5-4;/h9H,1,8H2,2-7H3;1-2,4H2,(H,5,6);/q2*-1;.
What are the key properties of 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium?
4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium has a molecular weight of 359.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanidyl-2,2,6,6-tetramethylheptan-3-one;propanehydrazide;yttrium is sourced from PubChem (CID 149069776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).