carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)

C29H66N4Y9-2 — CID 163857850

IUPACcarbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
SMILESCC.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H21N.C8H18N2.C7H15N.C2H6.2CH3.9Y/c1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8;1-2;;;;;;;;;;;/h9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;1-2H3;2*1H3;;;;;;;;;/q;;;;2*-1;;;;;;;;;
InChIKeyQEOKEDCEQVLIFN-UHFFFAOYSA-N
MW1271.03 g/mol
LogP6.55
Rot. Bonds3

About carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)

carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium) (PubChem CID 163857850) has the molecular formula C29H66N4Y9-2 and a molecular weight of 1271.03 g/mol. Its IUPAC name is carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium).

Molecular Properties

Compound Namecarbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
PubChem CID163857850
Molecular FormulaC29H66N4Y9-2
Molecular Weight1271.03 g/mol
Exact Mass1270.68
IUPAC Namecarbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
SMILESCC.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H21N.C8H18N2.C7H15N.C2H6.2CH3.9Y/c1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8;1-2;;;;;;;;;;;/h9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;1-2H3;2*1H3;;;;;;;;;/q;;;;2*-1;;;;;;;;;
InChIKeyQEOKEDCEQVLIFN-UHFFFAOYSA-N
XLogP6.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.03
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium) with MolForge

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Related Compounds

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CID 163640351
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
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CID 165121785
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
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1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628

Frequently Asked Questions

What is the IUPAC name of carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)?
The IUPAC name of carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium) (CID 163857850) is carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium).
What is the SMILES notation for carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)?
The canonical SMILES for carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium) is CC.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)?
The InChIKey is QEOKEDCEQVLIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H18N2.C7H15N.C2H6.2CH3.9Y/c1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8;1-2;;;;;;;;;;;/h9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;1-2H3;2*1H3;;;;;;;;;/q;;;;2*-1;;;;;;;;;.
What are the key properties of carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)?
carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium) has a molecular weight of 1271.03 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium) is sourced from PubChem (CID 163857850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).