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

C18H32N3O2+ — CID 8768358

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(C)(C)C)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)19-16(22)12-20(4)13-17(23)21(15-10-11-15)14-8-6-5-7-9-14/h8,15H,5-7,9-13H2,1-4H3,(H,19,22)/p+1
InChIKeyAOWWDFKSRKETOV-UHFFFAOYSA-O
MW322.47 g/mol
LogP0.86
Rot. Bonds6

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

[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8768358) has the molecular formula C18H32N3O2+ and a molecular weight of 322.47 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium
PubChem CID8768358
Molecular FormulaC18H32N3O2+
Molecular Weight322.47 g/mol
Exact Mass322.25
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(C)(C)C)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)19-16(22)12-20(4)13-17(23)21(15-10-11-15)14-8-6-5-7-9-14/h8,15H,5-7,9-13H2,1-4H3,(H,19,22)/p+1
InChIKeyAOWWDFKSRKETOV-UHFFFAOYSA-O
XLogP0.86
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-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-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
1-(Tert-butyl)tetrahydroquinoxalin-2,3-dione
CID 86749675
(2S)-2-amino-N-[(2S)-1-[[(4R)-4-ethylcyclohexen-1-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 129208079
(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane
CID 143116671
N-[5-[5-[methyl-[2-oxo-2-[6-(propan-2-ylamino)hexylamino]ethyl]amino]hex-1-en-2-ylamino]pentyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 166695083
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

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium (CID 8768358) is [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NC(C)(C)C)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is AOWWDFKSRKETOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31N3O2/c1-18(2,3)19-16(22)12-20(4)13-17(23)21(15-10-11-15)14-8-6-5-7-9-14/h8,15H,5-7,9-13H2,1-4H3,(H,19,22)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 322.47 g/mol, XLogP of 0.86, 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(cyclopropyl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8768358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).