N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide

C13H26N2O2 — CID 176960465

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
SMILESCN(C)CCOCCNC(=O)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)9-11-17-10-8-14-13(16)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyLGBRKNALSVYNDF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide (PubChem CID 176960465) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
PubChem CID176960465
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
SMILESCN(C)CCOCCNC(=O)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)9-11-17-10-8-14-13(16)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyLGBRKNALSVYNDF-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
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

3-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 114127430
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816782
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
1-[2-[2-(dimethylamino)ethoxy]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128644
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(cyclopentylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952800
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
N-propylcyclooctanecarboxamide
CID 65022755
N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide
CID 135141214
1-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 114127451

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide (CID 176960465) is N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide is CN(C)CCOCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide?
The InChIKey is LGBRKNALSVYNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)9-11-17-10-8-14-13(16)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 176960465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).