trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium

C14H34N4+2 — CID 21418888

IUPACtrimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium
SMILESCC(N1CCN(C(C)[N+](C)(C)C)CC1)[N+](C)(C)C
InChIInChI=1S/C14H34N4/c1-13(17(3,4)5)15-9-11-16(12-10-15)14(2)18(6,7)8/h13-14H,9-12H2,1-8H3/q+2
InChIKeyDUROAJFFOPFOLC-UHFFFAOYSA-N
MW258.45 g/mol
LogP0.71
Rot. Bonds4

About trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium

trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium (PubChem CID 21418888) has the molecular formula C14H34N4+2 and a molecular weight of 258.45 g/mol. Its IUPAC name is trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium
PubChem CID21418888
Molecular FormulaC14H34N4+2
Molecular Weight258.45 g/mol
Exact Mass258.28
IUPAC Nametrimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium
SMILESCC(N1CCN(C(C)[N+](C)(C)C)CC1)[N+](C)(C)C
InChIInChI=1S/C14H34N4/c1-13(17(3,4)5)15-9-11-16(12-10-15)14(2)18(6,7)8/h13-14H,9-12H2,1-8H3/q+2
InChIKeyDUROAJFFOPFOLC-UHFFFAOYSA-N
XLogP0.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 175406803
1-(1-methoxyethyl)aziridine
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CID 3064079
1-[4-(1-arsanylethyl)piperazin-1-yl]ethylarsane
CID 173199975
1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
CID 3064078
ethane;1-propan-2-ylpyrrolidine
CID 167557798
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium?
The IUPAC name of trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium (CID 21418888) is trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium.
What is the SMILES notation for trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium?
The canonical SMILES for trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium is CC(N1CCN(C(C)[N+](C)(C)C)CC1)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium?
The InChIKey is DUROAJFFOPFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4/c1-13(17(3,4)5)15-9-11-16(12-10-15)14(2)18(6,7)8/h13-14H,9-12H2,1-8H3/q+2.
What are the key properties of trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium?
trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium has a molecular weight of 258.45 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium is sourced from PubChem (CID 21418888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).