[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium

C18H34N3O3+ — CID 8768191

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium
SMILESCOCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)19-16(22)13-20(4)14-17(23)21(11-12-24-5)15-9-7-6-8-10-15/h9H,6-8,10-14H2,1-5H3,(H,19,22)/p+1
InChIKeyMRTZGRKBKXHJBB-UHFFFAOYSA-O
MW340.49 g/mol
LogP0.35
Rot. Bonds8

About [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8768191) has the molecular formula C18H34N3O3+ and a molecular weight of 340.49 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium
PubChem CID8768191
Molecular FormulaC18H34N3O3+
Molecular Weight340.49 g/mol
Exact Mass340.26
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium
SMILESCOCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H33N3O3/c1-18(2,3)19-16(22)13-20(4)14-17(23)21(11-12-24-5)15-9-7-6-8-10-15/h9H,6-8,10-14H2,1-5H3,(H,19,22)/p+1
InChIKeyMRTZGRKBKXHJBB-UHFFFAOYSA-O
XLogP0.35
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 53615071
N-(cyclohexen-1-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 70869418
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 3226626
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium
CID 7406234
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709819
N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8709820
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylazanium
CID 8767782
N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8767783
N-tert-butyl-2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768192
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium
CID 8768358
N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768359

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium (CID 8768191) is [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium is COCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1=CCCCC1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is MRTZGRKBKXHJBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H33N3O3/c1-18(2,3)19-16(22)13-20(4)14-17(23)21(11-12-24-5)15-9-7-6-8-10-15/h9H,6-8,10-14H2,1-5H3,(H,19,22)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 340.49 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).