[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium

C13H25N2O2+ — CID 7406234

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-17-10-9-14-11-13(16)15-8-7-12-5-3-2-4-6-12/h5,14H,2-4,6-11H2,1H3,(H,15,16)/p+1
InChIKeyMLCHKOKIOKGECY-UHFFFAOYSA-O
MW241.35 g/mol
LogP0.20
Rot. Bonds8

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium (PubChem CID 7406234) has the molecular formula C13H25N2O2+ and a molecular weight of 241.35 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium
PubChem CID7406234
Molecular FormulaC13H25N2O2+
Molecular Weight241.35 g/mol
Exact Mass241.19
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-17-10-9-14-11-13(16)15-8-7-12-5-3-2-4-6-12/h5,14H,2-4,6-11H2,1H3,(H,15,16)/p+1
InChIKeyMLCHKOKIOKGECY-UHFFFAOYSA-O
XLogP0.20
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 53616075
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3416847
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3420120
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
Ethyl {[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}formate
CID 28710174
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(3-hydroxypropyl)oxalamide
CID 45584862
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxypropyl)oxalamide
CID 45584863
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(1-hydroxybutan-2-yl)oxalamide
CID 45584864

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium (CID 7406234) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium is COCC[NH2+]CC(=O)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium?
The InChIKey is MLCHKOKIOKGECY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2O2/c1-17-10-9-14-11-13(16)15-8-7-12-5-3-2-4-6-12/h5,14H,2-4,6-11H2,1H3,(H,15,16)/p+1.
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium has a molecular weight of 241.35 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium is sourced from PubChem (CID 7406234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).