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

C17H28N3O2+ — CID 8910467

IUPAC[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC1CC1)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C17H27N3O2/c1-19(11-16(21)18-13-7-8-13)12-17(22)20(15-9-10-15)14-5-3-2-4-6-14/h5,13,15H,2-4,6-12H2,1H3,(H,18,21)/p+1
InChIKeyMOSQWHUTEPZCBQ-UHFFFAOYSA-O
MW306.43 g/mol
LogP0.23
Rot. Bonds7

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

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 8910467) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID8910467
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC1CC1)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C17H27N3O2/c1-19(11-16(21)18-13-7-8-13)12-17(22)20(15-9-10-15)14-5-3-2-4-6-14/h5,13,15H,2-4,6-12H2,1H3,(H,18,21)/p+1
InChIKeyMOSQWHUTEPZCBQ-UHFFFAOYSA-O
XLogP0.23
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[cyclohexen-1-yl(cyclopropyl)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-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809318
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 17431600
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex-3-en-1-yl]acetamide
CID 68272063
N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 142682970
N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide
CID 8547842
N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-yl)-N-propylacetamide
CID 8547843
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
N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709857
N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8709858

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 8910467) is [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NC1CC1)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is MOSQWHUTEPZCBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-19(11-16(21)18-13-7-8-13)12-17(22)20(15-9-10-15)14-5-3-2-4-6-14/h5,13,15H,2-4,6-12H2,1H3,(H,18,21)/p+1.
What are the key properties of [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 306.43 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8910467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).