3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)

C80H169N5Y4-8 — CID 167589452

IUPAC3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC2(CC1)C1CC3CC(C1)CC2C3.[CH2-]CC1(C[CH2-])CCCN(C(C)C)C1.[CH2-]CC1(C[CH2-])CCN(C(C)C)C1.[CH2-]CC1(C[CH2-])CCN(C(C)C)CC1.[CH2-]CC1(C[CH2-])CN(C(C)C)C1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C17H29N.2C12H23N.C11H21N.C10H19N.9C2H6.4Y/c1-12(2)18-5-3-17(4-6-18)15-8-13-7-14(10-15)11-16(17)9-13;1-5-12(6-2)7-9-13(10-8-12)11(3)4;1-5-12(6-2)8-7-9-13(10-12)11(3)4;1-5-11(6-2)7-8-12(9-11)10(3)4;1-5-10(6-2)7-11(8-10)9(3)4;9*1-2;;;;/h12-16H,3-11H2,1-2H3;2*11H,1-2,5-10H2,3-4H3;10H,1-2,5-9H2,3-4H3;9H,1-2,5-8H2,3-4H3;9*1-2H3;;;;/q;4*-2;;;;;;;;;;;;;
InChIKeyIHHONFBPLDAHOR-UHFFFAOYSA-N
MW1556.89 g/mol
LogP23.69
Rot. Bonds13

About 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)

3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium) (PubChem CID 167589452) has the molecular formula C80H169N5Y4-8 and a molecular weight of 1556.89 g/mol. Its IUPAC name is 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium).

Molecular Properties

Compound Name3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)
PubChem CID167589452
Molecular FormulaC80H169N5Y4-8
Molecular Weight1556.89 g/mol
Exact Mass1555.97
IUPAC Name3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC2(CC1)C1CC3CC(C1)CC2C3.[CH2-]CC1(C[CH2-])CCCN(C(C)C)C1.[CH2-]CC1(C[CH2-])CCN(C(C)C)C1.[CH2-]CC1(C[CH2-])CCN(C(C)C)CC1.[CH2-]CC1(C[CH2-])CN(C(C)C)C1.[Y].[Y].[Y].[Y]
InChIInChI=1S/C17H29N.2C12H23N.C11H21N.C10H19N.9C2H6.4Y/c1-12(2)18-5-3-17(4-6-18)15-8-13-7-14(10-15)11-16(17)9-13;1-5-12(6-2)7-9-13(10-8-12)11(3)4;1-5-12(6-2)8-7-9-13(10-12)11(3)4;1-5-11(6-2)7-8-12(9-11)10(3)4;1-5-10(6-2)7-11(8-10)9(3)4;9*1-2;;;;/h12-16H,3-11H2,1-2H3;2*11H,1-2,5-10H2,3-4H3;10H,1-2,5-9H2,3-4H3;9H,1-2,5-8H2,3-4H3;9*1-2H3;;;;/q;4*-2;;;;;;;;;;;;;
InChIKeyIHHONFBPLDAHOR-UHFFFAOYSA-N
XLogP23.69
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001556.89
LogP ≤ 523.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(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

2,9-Di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
CID 157646351
2,7-Di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
CID 161280540
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

Frequently Asked Questions

What is the IUPAC name of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)?
The IUPAC name of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium) (CID 167589452) is 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium).
What is the SMILES notation for 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)?
The canonical SMILES for 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC2(CC1)C1CC3CC(C1)CC2C3.[CH2-]CC1(C[CH2-])CCCN(C(C)C)C1.[CH2-]CC1(C[CH2-])CCN(C(C)C)C1.[CH2-]CC1(C[CH2-])CCN(C(C)C)CC1.[CH2-]CC1(C[CH2-])CN(C(C)C)C1.[Y].[Y].[Y].[Y].
What is the InChIKey of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)?
The InChIKey is IHHONFBPLDAHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.2C12H23N.C11H21N.C10H19N.9C2H6.4Y/c1-12(2)18-5-3-17(4-6-18)15-8-13-7-14(10-15)11-16(17)9-13;1-5-12(6-2)7-9-13(10-8-12)11(3)4;1-5-12(6-2)8-7-9-13(10-12)11(3)4;1-5-11(6-2)7-8-12(9-11)10(3)4;1-5-10(6-2)7-11(8-10)9(3)4;9*1-2;;;;/h12-16H,3-11H2,1-2H3;2*11H,1-2,5-10H2,3-4H3;10H,1-2,5-9H2,3-4H3;9H,1-2,5-8H2,3-4H3;9*1-2H3;;;;/q;4*-2;;;;;;;;;;;;;.
What are the key properties of 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium)?
3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium) has a molecular weight of 1556.89 g/mol, XLogP of 23.69, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(ethyl)-1-propan-2-ylazetidine;3,3-di(ethyl)-1-propan-2-ylpiperidine;4,4-di(ethyl)-1-propan-2-ylpiperidine;3,3-di(ethyl)-1-propan-2-ylpyrrolidine;ethane;1'-propan-2-ylspiro[adamantane-2,4'-piperidine];tetrakis(yttrium) is sourced from PubChem (CID 167589452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).