1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine

C39H85N7 — CID 159092421

IUPAC1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine
SMILESCCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.3C7H15N.C6H13N.C5H11N/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;1-2-6-4-3-5-6/h3-7H2,1-2H3;3*2-7H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyKCFQTETVIFXOHJ-UHFFFAOYSA-N
MW652.16 g/mol
LogP6.54
Rot. Bonds6

About 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine

1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine (PubChem CID 159092421) has the molecular formula C39H85N7 and a molecular weight of 652.16 g/mol. Its IUPAC name is 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine.

Molecular Properties

Compound Name1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine
PubChem CID159092421
Molecular FormulaC39H85N7
Molecular Weight652.16 g/mol
Exact Mass651.69
IUPAC Name1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine
SMILESCCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.3C7H15N.C6H13N.C5H11N/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;1-2-6-4-3-5-6/h3-7H2,1-2H3;3*2-7H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyKCFQTETVIFXOHJ-UHFFFAOYSA-N
XLogP6.54
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.16
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-Dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157363951
Bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
CID 157439064
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157461988
1,4-Dimethylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157877999
3,5-Dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157971285
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158178488
1-tert-butyl-4-methylpiperazine;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;N,N,2-trimethylpropan-2-amine
CID 158259295
5-[Diethyl(methyl)azaniumyl]pentyl-diethyl-methylazanium;1,1-diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158261578
Tris(1-ethyl-4-methylpiperazine);1-methylpiperidine
CID 158393353
1-Ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane
CID 158587608
1,1-Diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158691923
1-(2-Methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158830501

Frequently Asked Questions

What is the IUPAC name of 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine?
The IUPAC name of 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine (CID 159092421) is 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine.
What is the SMILES notation for 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine?
The canonical SMILES for 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine is CCN1CCC1.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1.
What is the InChIKey of 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine?
The InChIKey is KCFQTETVIFXOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.3C7H15N.C6H13N.C5H11N/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;1-2-6-4-3-5-6/h3-7H2,1-2H3;3*2-7H2,1H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine?
1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine has a molecular weight of 652.16 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine is sourced from PubChem (CID 159092421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).