2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)

C14H28NOY2 — CID 160825109

IUPAC2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)
SMILESC[CH-]C.[CH2-]C([CH2-])(C(=O)C(C)C)N(C)C(C)C.[Y+3].[Y]
InChIInChI=1S/C11H21NO.C3H7.2Y/c1-8(2)10(13)11(5,6)12(7)9(3)4;1-3-2;;/h8-9H,5-6H2,1-4,7H3;3H,1-2H3;;/q-2;-1;;+3
InChIKeySGBBGBUEHWIPDM-UHFFFAOYSA-N
MW404.20 g/mol
LogP3.18
Rot. Bonds4

About 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)

2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+) (PubChem CID 160825109) has the molecular formula C14H28NOY2 and a molecular weight of 404.20 g/mol. Its IUPAC name is 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+).

Molecular Properties

Compound Name2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)
PubChem CID160825109
Molecular FormulaC14H28NOY2
Molecular Weight404.20 g/mol
Exact Mass404.03
IUPAC Name2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)
SMILESC[CH-]C.[CH2-]C([CH2-])(C(=O)C(C)C)N(C)C(C)C.[Y+3].[Y]
InChIInChI=1S/C11H21NO.C3H7.2Y/c1-8(2)10(13)11(5,6)12(7)9(3)4;1-3-2;;/h8-9H,5-6H2,1-4,7H3;3H,1-2H3;;/q-2;-1;;+3
InChIKeySGBBGBUEHWIPDM-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)?
The IUPAC name of 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+) (CID 160825109) is 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+).
What is the SMILES notation for 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)?
The canonical SMILES for 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+) is C[CH-]C.[CH2-]C([CH2-])(C(=O)C(C)C)N(C)C(C)C.[Y+3].[Y].
What is the InChIKey of 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)?
The InChIKey is SGBBGBUEHWIPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C3H7.2Y/c1-8(2)10(13)11(5,6)12(7)9(3)4;1-3-2;;/h8-9H,5-6H2,1-4,7H3;3H,1-2H3;;/q-2;-1;;+3.
What are the key properties of 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)?
2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+) has a molecular weight of 404.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+) is sourced from PubChem (CID 160825109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).