2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide

C13H26N2O2 — CID 81058742

IUPAC2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
SMILESCCOCCN(C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-10-9-15(2)12(16)11-13(14)7-5-4-6-8-13/h3-11,14H2,1-2H3
InChIKeyAXFDHYVMDHFEDQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds6

About 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide

2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide (PubChem CID 81058742) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
PubChem CID81058742
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
SMILESCCOCCN(C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-10-9-15(2)12(16)11-13(14)7-5-4-6-8-13/h3-11,14H2,1-2H3
InChIKeyAXFDHYVMDHFEDQ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 64677265
2-(1-aminocyclobutyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82966068
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
CID 64685530
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
2-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992933
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
2-(1-aminocyclopentyl)-N-methyl-N-pentan-3-ylacetamide
CID 64685380
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide (CID 81058742) is 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide is CCOCCN(C)C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
The InChIKey is AXFDHYVMDHFEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-10-9-15(2)12(16)11-13(14)7-5-4-6-8-13/h3-11,14H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide?
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide is sourced from PubChem (CID 81058742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).