1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)

C22H47N3Y4-4 — CID 157235049

IUPAC1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)
SMILESCC(C)(C)N1CCCCC1.CCN1CCCCC1.[CH2-]CN([CH2-])C[CH2-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H19N.C7H15N.C5H10N.CH3.4Y/c1-9(2,3)10-7-5-4-6-8-10;1-2-8-6-4-3-5-7-8;1-4-6(3)5-2;;;;;/h4-8H2,1-3H3;2-7H2,1H3;1-5H2;1H3;;;;/q;;-3;-1;;;;
InChIKeyAGCGKHWUNOMSBF-UHFFFAOYSA-N
MW709.26 g/mol
LogP4.95
Rot. Bonds3

About 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)

1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium) (PubChem CID 157235049) has the molecular formula C22H47N3Y4-4 and a molecular weight of 709.26 g/mol. Its IUPAC name is 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium).

Molecular Properties

Compound Name1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)
PubChem CID157235049
Molecular FormulaC22H47N3Y4-4
Molecular Weight709.26 g/mol
Exact Mass709.00
IUPAC Name1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)
SMILESCC(C)(C)N1CCCCC1.CCN1CCCCC1.[CH2-]CN([CH2-])C[CH2-].[CH3-].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H19N.C7H15N.C5H10N.CH3.4Y/c1-9(2,3)10-7-5-4-6-8-10;1-2-8-6-4-3-5-7-8;1-4-6(3)5-2;;;;;/h4-8H2,1-3H3;2-7H2,1H3;1-5H2;1H3;;;;/q;;-3;-1;;;;
InChIKeyAGCGKHWUNOMSBF-UHFFFAOYSA-N
XLogP4.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.26
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butylimino-tri(piperidin-1-yl)-lambda5-phosphane
CID 71613810
1''-Methyl-1,4':1',4''-terpiperidine
CID 4418867
N,N-dimethyl-1-azabicyclo[2.2.2]octan-4-amine
CID 12201528
3-Tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 58101750
4-Piperidin-1-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 58850388
2,2-Diethyl-1,4-dipropyl-1,4-diazoniabicyclo[2.2.2]octane
CID 69235681
1-methyl-N,N-bis(1-methylpiperidin-4-yl)piperidin-4-amine
CID 85658794
1,4-Dipentyl-1,4-diazoniabicyclo[2.2.2]octane
CID 101904051
1-Tert-butyl-4-hexyl-1,4-diazoniabicyclo[2.2.2]octane
CID 118067030
1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 123473478
1-Methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-Methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine
CID 130208256

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)?
The IUPAC name of 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium) (CID 157235049) is 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium).
What is the SMILES notation for 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)?
The canonical SMILES for 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium) is CC(C)(C)N1CCCCC1.CCN1CCCCC1.[CH2-]CN([CH2-])C[CH2-].[CH3-].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)?
The InChIKey is AGCGKHWUNOMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C7H15N.C5H10N.CH3.4Y/c1-9(2,3)10-7-5-4-6-8-10;1-2-8-6-4-3-5-7-8;1-4-6(3)5-2;;;;;/h4-8H2,1-3H3;2-7H2,1H3;1-5H2;1H3;;;;/q;;-3;-1;;;;.
What are the key properties of 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium)?
1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium) has a molecular weight of 709.26 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;carbanide;N-ethyl-N-methanidylethanamine;1-ethylpiperidine;tetrakis(yttrium) is sourced from PubChem (CID 157235049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).