bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium

C31H92N6O3Y+2 — CID 159411275

IUPACbis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium
SMILESC.C.C.C.C.C.C.C.C/C=[N+](/C)O.CC(C)=[N+](C)O.CN(C)C.CN(C)C.CN=C(C)C.CN=C(C)C.COC.[Y]
InChIInChI=1S/C4H10NO.2C4H9N.C3H8NO.2C3H9N.C2H6O.8CH4.Y/c1-4(2)5(3)6;2*1-4(2)5-3;1-3-4(2)5;2*1-4(2)3;1-3-2;;;;;;;;;/h6H,1-3H3;2*1-3H3;3,5H,1-2H3;2*1-3H3;1-2H3;8*1H4;/q+1;;;+1;;;;;;;;;;;;/b;;;4-3-;;;;;;;;;;;;
InChIKeyLMGZMUZMOPOAKZ-SNHYQBSDSA-N
MW686.02 g/mol
LogP8.51
Rot. Bonds

About bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium

bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium (PubChem CID 159411275) has the molecular formula C31H92N6O3Y+2 and a molecular weight of 686.02 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium
PubChem CID159411275
Molecular FormulaC31H92N6O3Y+2
Molecular Weight686.02 g/mol
Exact Mass685.63
IUPAC Namebis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium
SMILESC.C.C.C.C.C.C.C.C/C=[N+](/C)O.CC(C)=[N+](C)O.CN(C)C.CN(C)C.CN=C(C)C.CN=C(C)C.COC.[Y]
InChIInChI=1S/C4H10NO.2C4H9N.C3H8NO.2C3H9N.C2H6O.8CH4.Y/c1-4(2)5(3)6;2*1-4(2)5-3;1-3-4(2)5;2*1-4(2)3;1-3-2;;;;;;;;;/h6H,1-3H3;2*1-3H3;3,5H,1-2H3;2*1-3H3;1-2H3;8*1H4;/q+1;;;+1;;;;;;;;;;;;/b;;;4-3-;;;;;;;;;;;;
InChIKeyLMGZMUZMOPOAKZ-SNHYQBSDSA-N
XLogP8.51
TPSA86.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.02
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium with MolForge

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

Launch Full Analysis

Related Compounds

2-methylbut-2-ene;N-methylpropan-2-imine
CID 161325778
N,N-dimethylmethanamine;methane;yttrium
CID 160518435
acetaldehyde;methane;methyl acetate
CID 157361598
(2E,4Z,6E)-N,2-dimethylocta-2,4,6-trien-1-imine
CID 134195974
N-hydroxyethanimine oxide
CID 6852034
N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
CID 159889830
N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
CID 163422703
N,N-dimethylmethanamine;ethane;N,N,N'-trimethylmethanimidamide
CID 176943754
(E)-4-methyl-2-methyliminohex-4-en-3-one
CID 123666831
methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
ethane;methane;methanol;methoxymethane
CID 159632193
N'-methylethanimidamide;vanadium
CID 161014708

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium?
The IUPAC name of bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium (CID 159411275) is bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium.
What is the SMILES notation for bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium?
The canonical SMILES for bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium is C.C.C.C.C.C.C.C.C/C=[N+](/C)O.CC(C)=[N+](C)O.CN(C)C.CN(C)C.CN=C(C)C.CN=C(C)C.COC.[Y].
What is the InChIKey of bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium?
The InChIKey is LMGZMUZMOPOAKZ-SNHYQBSDSA-N. The full InChI is InChI=1S/C4H10NO.2C4H9N.C3H8NO.2C3H9N.C2H6O.8CH4.Y/c1-4(2)5(3)6;2*1-4(2)5-3;1-3-4(2)5;2*1-4(2)3;1-3-2;;;;;;;;;/h6H,1-3H3;2*1-3H3;3,5H,1-2H3;2*1-3H3;1-2H3;8*1H4;/q+1;;;+1;;;;;;;;;;;;/b;;;4-3-;;;;;;;;;;;;.
What are the key properties of bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium?
bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium has a molecular weight of 686.02 g/mol, XLogP of 8.51, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);(Z)-ethylidene-hydroxy-methylazanium;hydroxy-methyl-propan-2-ylideneazanium;methane;methoxymethane;bis(N-methylpropan-2-imine);yttrium is sourced from PubChem (CID 159411275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).