N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium

C8H18NY- — CID 167565211

IUPACN,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium
SMILESC=C([CH2-])CC.CN(C)C.[Y]
InChIInChI=1S/C5H9.C3H9N.Y/c1-4-5(2)3;1-4(2)3;/h2-4H2,1H3;1-3H3;/q-1;;
InChIKeyOUBVESGARCTFTI-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.96
Rot. Bonds1

About N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium

N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium (PubChem CID 167565211) has the molecular formula C8H18NY- and a molecular weight of 217.14 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium
PubChem CID167565211
Molecular FormulaC8H18NY-
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC NameN,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium
SMILESC=C([CH2-])CC.CN(C)C.[Y]
InChIInChI=1S/C5H9.C3H9N.Y/c1-4-5(2)3;1-4(2)3;/h2-4H2,1H3;1-3H3;/q-1;;
InChIKeyOUBVESGARCTFTI-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium?
The IUPAC name of N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium (CID 167565211) is N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium.
What is the SMILES notation for N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium?
The canonical SMILES for N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium is C=C([CH2-])CC.CN(C)C.[Y].
What is the InChIKey of N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium?
The InChIKey is OUBVESGARCTFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9.C3H9N.Y/c1-4-5(2)3;1-4(2)3;/h2-4H2,1H3;1-3H3;/q-1;;.
What are the key properties of N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium?
N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium has a molecular weight of 217.14 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-methanidylbut-1-ene;yttrium is sourced from PubChem (CID 167565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).