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

C17H32N3O2+ — CID 8768438

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium
SMILESCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H31N3O2/c1-6-20(14-10-8-7-9-11-14)16(22)13-19(5)12-15(21)18-17(2,3)4/h10H,6-9,11-13H2,1-5H3,(H,18,21)/p+1
InChIKeyONJLIGCBZSBXSG-UHFFFAOYSA-O
MW310.46 g/mol
LogP0.72
Rot. Bonds6

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

[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8768438) has the molecular formula C17H32N3O2+ and a molecular weight of 310.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium
PubChem CID8768438
Molecular FormulaC17H32N3O2+
Molecular Weight310.46 g/mol
Exact Mass310.25
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium
SMILESCCN(C(=O)C[NH+](C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H31N3O2/c1-6-20(14-10-8-7-9-11-14)16(22)13-19(5)12-15(21)18-17(2,3)4/h10H,6-9,11-13H2,1-5H3,(H,18,21)/p+1
InChIKeyONJLIGCBZSBXSG-UHFFFAOYSA-O
XLogP0.72
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
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
2-acetamido-N-icosa-5,8,11,14-tetraenylacetamide
CID 53908623
2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide
CID 54244144
N-[2-[4-(cyclohexen-1-yl)piperazin-1-yl]ethyl]acetamide
CID 70289627
1-(Tert-butyl)tetrahydroquinoxalin-2,3-dione
CID 86749675
2-acetamido-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 88077427
2-(dimethylamino)-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 88155686
2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
CID 123961968

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium (CID 8768438) is [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium is CCN(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(ethyl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is ONJLIGCBZSBXSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H31N3O2/c1-6-20(14-10-8-7-9-11-14)16(22)13-19(5)12-15(21)18-17(2,3)4/h10H,6-9,11-13H2,1-5H3,(H,18,21)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 310.46 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).