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

C17H30N3O3+ — CID 8910238

IUPAC[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCOCCN(C(=O)C[NH+](C)CC(=O)NC1CC1)C1=CCCCC1
InChIInChI=1S/C17H29N3O3/c1-19(12-16(21)18-14-8-9-14)13-17(22)20(10-11-23-2)15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,21)/p+1
InChIKeyBNEOCUTWMAQMJB-UHFFFAOYSA-O
MW324.45 g/mol
LogP-0.29
Rot. Bonds9

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

[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 8910238) has the molecular formula C17H30N3O3+ and a molecular weight of 324.45 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID8910238
Molecular FormulaC17H30N3O3+
Molecular Weight324.45 g/mol
Exact Mass324.23
IUPAC Name[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCOCCN(C(=O)C[NH+](C)CC(=O)NC1CC1)C1=CCCCC1
InChIInChI=1S/C17H29N3O3/c1-19(12-16(21)18-14-8-9-14)13-17(22)20(10-11-23-2)15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,21)/p+1
InChIKeyBNEOCUTWMAQMJB-UHFFFAOYSA-O
XLogP-0.29
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
N-(cyclohexen-1-yl)-2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 53615071
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
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709831
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8709832
[2-(Tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylazanium
CID 8768191
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
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910239

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 8910238) is [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is COCCN(C(=O)C[NH+](C)CC(=O)NC1CC1)C1=CCCCC1.
What is the InChIKey of [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is BNEOCUTWMAQMJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29N3O3/c1-19(12-16(21)18-14-8-9-14)13-17(22)20(10-11-23-2)15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3,(H,18,21)/p+1.
What are the key properties of [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 324.45 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8910238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).