2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide

C12H24N2O2 — CID 106235196

IUPAC2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
SMILESCC1(C)CCC(NCCOCC(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2)5-3-10(4-6-12)14-7-8-16-9-11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyKBRCMCVAJGWLBB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds6

About 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide

2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide (PubChem CID 106235196) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
PubChem CID106235196
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
SMILESCC1(C)CCC(NCCOCC(N)=O)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2)5-3-10(4-6-12)14-7-8-16-9-11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyKBRCMCVAJGWLBB-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
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-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
CID 114162148
2-[2-[(4-propan-2-ylcyclohexyl)amino]ethoxy]acetamide
CID 106236541
2-[2-[(4-methylcycloheptyl)amino]ethoxy]acetamide
CID 106235412
4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
CID 114465917
2-[(4,4-dimethylcyclohexyl)amino]oxyacetamide
CID 112672857
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
CID 106235673
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
CID 106235025
2-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethoxy]acetamide
CID 114162010
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide (CID 106235196) is 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide is CC1(C)CCC(NCCOCC(N)=O)CC1.
What is the InChIKey of 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide?
The InChIKey is KBRCMCVAJGWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)5-3-10(4-6-12)14-7-8-16-9-11(13)15/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide?
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106235196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).