3-ethyl-4-methanidyl-1-methylpiperidine;yttrium

C9H17NY-2 — CID 58095413

IUPAC3-ethyl-4-methanidyl-1-methylpiperidine;yttrium
SMILES[CH2-]CC1CN(C)CCC1[CH2-].[Y]
InChIInChI=1S/C9H17N.Y/c1-4-9-7-10(3)6-5-8(9)2;/h8-9H,1-2,4-7H2,3H3;/q-2;
InChIKeyBWKNOKDICYNGBI-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.61
Rot. Bonds1

About 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium

3-ethyl-4-methanidyl-1-methylpiperidine;yttrium (PubChem CID 58095413) has the molecular formula C9H17NY-2 and a molecular weight of 228.15 g/mol. Its IUPAC name is 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium.

Molecular Properties

Compound Name3-ethyl-4-methanidyl-1-methylpiperidine;yttrium
PubChem CID58095413
Molecular FormulaC9H17NY-2
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC Name3-ethyl-4-methanidyl-1-methylpiperidine;yttrium
SMILES[CH2-]CC1CN(C)CCC1[CH2-].[Y]
InChIInChI=1S/C9H17N.Y/c1-4-9-7-10(3)6-5-8(9)2;/h8-9H,1-2,4-7H2,3H3;/q-2;
InChIKeyBWKNOKDICYNGBI-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.61
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 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium?
The IUPAC name of 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium (CID 58095413) is 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium.
What is the SMILES notation for 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium?
The canonical SMILES for 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium is [CH2-]CC1CN(C)CCC1[CH2-].[Y].
What is the InChIKey of 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium?
The InChIKey is BWKNOKDICYNGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.Y/c1-4-9-7-10(3)6-5-8(9)2;/h8-9H,1-2,4-7H2,3H3;/q-2;.
What are the key properties of 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium?
3-ethyl-4-methanidyl-1-methylpiperidine;yttrium has a molecular weight of 228.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methanidyl-1-methylpiperidine;yttrium is sourced from PubChem (CID 58095413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).