3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)

C112H221N7Y3-6 — CID 167654546

About 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)

3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium) (PubChem CID 167654546) has the molecular formula C112H221N7Y3-6 and a molecular weight of 1932.77 g/mol. Its IUPAC name is 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium).

Molecular Properties

• Compound Name: 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)
• PubChem CID: 167654546
• Molecular Formula: C112H221N7Y3-6
• Molecular Weight: 1932.77 g/mol
• Exact Mass: 1931.47
• IUPAC Name: 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2(C1)C1CC3CC(C1)CC2C3.CC(C)N1CCC2(C1)C1CC3CC(C1)CC2C3.CC(C)N1CCC2(CC1)C1CC3CC(C1)CC2C3.CC(C)N1CCCC2(C1)C1CC3CC(C1)CC2C3.[CH2-]C1([CH2-])CN(C(C)C)C1.[CH2-]CC1(C[CH2-])CN(C(C)C)C1.[CH2-]CC1([CH2-])CN(C(C)C)C1.[Y].[Y].[Y]
• InChI: InChI=1S/2C17H29N.C16H27N.C15H25N.C10H19N.C9H17N.C8H15N.10C2H6.3Y/c1-12(2)18-5-3-17(4-6-18)15-8-13-7-14(10-15)11-16(17)9-13;1-12(2)18-5-3-4-17(11-18)15-7-13-6-14(9-15)10-16(17)8-13;1-11(2)17-4-3-16(10-17)14-6-12-5-13(8-14)9-15(16)7-12;1-10(2)16-8-15(9-16)13-4-11-3-12(6-13)7-14(15)5-11;1-5-10(6-2)7-11(8-10)9(3)4;1-5-9(4)6-10(7-9)8(2)3;1-7(2)9-5-8(3,4)6-9;10*1-2;;;/h2*12-16H,3-11H2,1-2H3;11-15H,3-10H2,1-2H3;10-14H,3-9H2,1-2H3;9H,1-2,5-8H2,3-4H3;8H,1,4-7H2,2-3H3;7H,3-6H2,1-2H3;10*1-2H3;;;/q;;;;3*-2
• InChIKey: DKPSUSTYPURHEV-UHFFFAOYSA-N
• XLogP: 30.08
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1932.77
LogP ≤ 5	30.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)?

The IUPAC name of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium) (CID 167654546) is 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium).

What is the SMILES notation for 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)?

The canonical SMILES for 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CC2(C1)C1CC3CC(C1)CC2C3.CC(C)N1CCC2(C1)C1CC3CC(C1)CC2C3.CC(C)N1CCC2(CC1)C1CC3CC(C1)CC2C3.CC(C)N1CCCC2(C1)C1CC3CC(C1)CC2C3.[CH2-]C1([CH2-])CN(C(C)C)C1.[CH2-]CC1(C[CH2-])CN(C(C)C)C1.[CH2-]CC1([CH2-])CN(C(C)C)C1.[Y].[Y].[Y].

What is the InChIKey of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)?

The InChIKey is DKPSUSTYPURHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H29N.C16H27N.C15H25N.C10H19N.C9H17N.C8H15N.10C2H6.3Y/c1-12(2)18-5-3-17(4-6-18)15-8-13-7-14(10-15)11-16(17)9-13;1-12(2)18-5-3-4-17(11-18)15-7-13-6-14(9-15)10-16(17)8-13;1-11(2)17-4-3-16(10-17)14-6-12-5-13(8-14)9-15(16)7-12;1-10(2)16-8-15(9-16)13-4-11-3-12(6-13)7-14(15)5-11;1-5-10(6-2)7-11(8-10)9(3)4;1-5-9(4)6-10(7-9)8(2)3;1-7(2)9-5-8(3,4)6-9;10*1-2;;;/h2*12-16H,3-11H2,1-2H3;11-15H,3-10H2,1-2H3;10-14H,3-9H2,1-2H3;9H,1-2,5-8H2,3-4H3;8H,1,4-7H2,2-3H3;7H,3-6H2,1-2H3;10*1-2H3;;;/q;;;;3*-2;;;;;;;;;;;;;.

What are the key properties of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium)?

3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium) has a molecular weight of 1932.77 g/mol, XLogP of 30.08, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-dimethanidyl-1-propan-2-ylazetidine;ethane;3-ethyl-3-methanidyl-1-propan-2-ylazetidine;1'-propan-2-ylspiro[adamantane-2,3'-azetidine];1'-propan-2-ylspiro[adamantane-2,3'-piperidine];1'-propan-2-ylspiro[adamantane-2,4'-piperidine];1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine];tris(yttrium) is sourced from PubChem (CID 167654546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).