N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium

C8H17NO2Y-2 — CID 59879059

IUPACN,N-dimethylpropan-2-amine;ethoxymethanone;yttrium
SMILESCCO[C-]=O.C[C-](C)N(C)C.[Y]
InChIInChI=1S/C5H12N.C3H5O2.Y/c1-5(2)6(3)4;1-2-5-3-4;/h1-4H3;2H2,1H3;/q2*-1;
InChIKeyGTBPHPSNAODXBU-UHFFFAOYSA-N
MW248.13 g/mol
LogP1.21
Rot. Bonds3

About N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium

N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium (PubChem CID 59879059) has the molecular formula C8H17NO2Y-2 and a molecular weight of 248.13 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;ethoxymethanone;yttrium
PubChem CID59879059
Molecular FormulaC8H17NO2Y-2
Molecular Weight248.13 g/mol
Exact Mass248.03
IUPAC NameN,N-dimethylpropan-2-amine;ethoxymethanone;yttrium
SMILESCCO[C-]=O.C[C-](C)N(C)C.[Y]
InChIInChI=1S/C5H12N.C3H5O2.Y/c1-5(2)6(3)4;1-2-5-3-4;/h1-4H3;2H2,1H3;/q2*-1;
InChIKeyGTBPHPSNAODXBU-UHFFFAOYSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium?
The IUPAC name of N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium (CID 59879059) is N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium.
What is the SMILES notation for N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium?
The canonical SMILES for N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium is CCO[C-]=O.C[C-](C)N(C)C.[Y].
What is the InChIKey of N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium?
The InChIKey is GTBPHPSNAODXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.C3H5O2.Y/c1-5(2)6(3)4;1-2-5-3-4;/h1-4H3;2H2,1H3;/q2*-1;.
What are the key properties of N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium?
N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium has a molecular weight of 248.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;ethoxymethanone;yttrium is sourced from PubChem (CID 59879059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).