2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide

C13H26N2O2 — CID 81074508

IUPAC2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
SMILESCCOCCN(C)C(=O)CC1CCCCC1N
InChIInChI=1S/C13H26N2O2/c1-3-17-9-8-15(2)13(16)10-11-6-4-5-7-12(11)14/h11-12H,3-10,14H2,1-2H3
InChIKeyJIALETOEYROBFY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide

2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide (PubChem CID 81074508) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
PubChem CID81074508
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
SMILESCCOCCN(C)C(=O)CC1CCCCC1N
InChIInChI=1S/C13H26N2O2/c1-3-17-9-8-15(2)13(16)10-11-6-4-5-7-12(11)14/h11-12H,3-10,14H2,1-2H3
InChIKeyJIALETOEYROBFY-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82940425
2-(2-aminocyclohexyl)-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81074151
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
N-(2-ethoxyethyl)-N-methyl-2-piperidin-2-ylacetamide
CID 81055314
2-(2-aminocyclohexyl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 62783083
N-(2-ethoxyethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 81058333
2-(2-aminocyclohexyl)-N-cyclopentyl-N-methylacetamide
CID 62782509
2-(2-aminocyclohexyl)-N,N-dibutylacetamide
CID 62781493
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 62781778
2-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclopentan-1-amine
CID 82965281
2-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81059586
2-(2-aminocyclohexyl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 62781924

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
The IUPAC name of 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide (CID 81074508) is 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide is CCOCCN(C)C(=O)CC1CCCCC1N.
What is the InChIKey of 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
The InChIKey is JIALETOEYROBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-9-8-15(2)13(16)10-11-6-4-5-7-12(11)14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide is sourced from PubChem (CID 81074508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).