[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C16H30N3O2+ — CID 8914031

IUPAC[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCN(C(=O)C[NH+](C)CC(=O)NC(C)C)C1=CCCCC1
InChIInChI=1S/C16H29N3O2/c1-5-19(14-9-7-6-8-10-14)16(21)12-18(4)11-15(20)17-13(2)3/h9,13H,5-8,10-12H2,1-4H3,(H,17,20)/p+1
InChIKeyXMCLDRRJZQQSMS-UHFFFAOYSA-O
MW296.43 g/mol
LogP0.33
Rot. Bonds7

About [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8914031) has the molecular formula C16H30N3O2+ and a molecular weight of 296.43 g/mol. Its IUPAC name is [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8914031
Molecular FormulaC16H30N3O2+
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCCN(C(=O)C[NH+](C)CC(=O)NC(C)C)C1=CCCCC1
InChIInChI=1S/C16H29N3O2/c1-5-19(14-9-7-6-8-10-14)16(21)12-18(4)11-15(20)17-13(2)3/h9,13H,5-8,10-12H2,1-4H3,(H,17,20)/p+1
InChIKeyXMCLDRRJZQQSMS-UHFFFAOYSA-O
XLogP0.33
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 10662762
4-Acetyltetrahydroquinoxalin-2-one
CID 129788254
1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56014571
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 17431600
N-(4-Pyrrolidinocyclohex-3-enyl)acetamide
CID 13660305
2,5,8,11-Tetrazabicyclo[10.4.0]hexadec-14-ene-4,9-dione
CID 18958567
1,2,3,4,4a,5,6,7,8,8a,9,12,12a,13,14,15,-16,16a-Octadecahydrodibenzo[b,h][1,4,7,10]-tetraaza-cyclododecin-6,15-dione
CID 18958573
2-(Cyclohexen-1-ylamino)acetamide
CID 21559102
2-acetamido-N-icosa-5,8,11,14-tetraenylacetamide
CID 53908623

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8914031) is [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CCN(C(=O)C[NH+](C)CC(=O)NC(C)C)C1=CCCCC1.
What is the InChIKey of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is XMCLDRRJZQQSMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H29N3O2/c1-5-19(14-9-7-6-8-10-14)16(21)12-18(4)11-15(20)17-13(2)3/h9,13H,5-8,10-12H2,1-4H3,(H,17,20)/p+1.
What are the key properties of [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 296.43 g/mol, XLogP of 0.33, 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(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8914031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).