4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium

C20H36N2Y-2 — CID 59025414

IUPAC4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium
SMILES[CH2-]C1CCCCC1[CH-]C1CC(C)N(C2CCNC2)C(C)C1C.[Y]
InChIInChI=1S/C20H36N2.Y/c1-14-7-5-6-8-18(14)12-19-11-15(2)22(17(4)16(19)3)20-9-10-21-13-20;/h12,14-21H,1,5-11,13H2,2-4H3;/q-2;
InChIKeyLGWVQPGNRGLUIB-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.93
Rot. Bonds3

About 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium

4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium (PubChem CID 59025414) has the molecular formula C20H36N2Y-2 and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium.

Molecular Properties

Compound Name4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium
PubChem CID59025414
Molecular FormulaC20H36N2Y-2
Molecular Weight393.43 g/mol
Exact Mass393.19
IUPAC Name4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium
SMILES[CH2-]C1CCCCC1[CH-]C1CC(C)N(C2CCNC2)C(C)C1C.[Y]
InChIInChI=1S/C20H36N2.Y/c1-14-7-5-6-8-18(14)12-19-11-15(2)22(17(4)16(19)3)20-9-10-21-13-20;/h12,14-21H,1,5-11,13H2,2-4H3;/q-2;
InChIKeyLGWVQPGNRGLUIB-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
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 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium?
The IUPAC name of 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium (CID 59025414) is 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium.
What is the SMILES notation for 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium?
The canonical SMILES for 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium is [CH2-]C1CCCCC1[CH-]C1CC(C)N(C2CCNC2)C(C)C1C.[Y].
What is the InChIKey of 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium?
The InChIKey is LGWVQPGNRGLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2.Y/c1-14-7-5-6-8-18(14)12-19-11-15(2)22(17(4)16(19)3)20-9-10-21-13-20;/h12,14-21H,1,5-11,13H2,2-4H3;/q-2;.
What are the key properties of 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium?
4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium has a molecular weight of 393.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methanidylcyclohexyl)methyl]-2,3,6-trimethyl-1-pyrrolidin-3-ylpiperidine;yttrium is sourced from PubChem (CID 59025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).