N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

C13H26N2O2 — CID 115577152

IUPACN,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)13(17)10-14(3)11-8-6-7-9-12(11)16/h11-12,16H,4-10H2,1-3H3
InChIKeyIODKLVYWJRUSNP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds5

About N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide

N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (PubChem CID 115577152) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
PubChem CID115577152
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCCC1O
InChIInChI=1S/C13H26N2O2/c1-4-15(5-2)13(17)10-14(3)11-8-6-7-9-12(11)16/h11-12,16H,4-10H2,1-3H3
InChIKeyIODKLVYWJRUSNP-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102636707
2-[(2-hydroxycyclopentyl)-methylamino]acetic acid
CID 60885872
6-[(2-hydroxycyclohexyl)-methylamino]hexan-2-one
CID 102632920
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
2-[(2-hydroxycyclohexyl)-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 102636285
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide (CID 115577152) is N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is CCN(CC)C(=O)CN(C)C1CCCCC1O.
What is the InChIKey of N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
The InChIKey is IODKLVYWJRUSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(5-2)13(17)10-14(3)11-8-6-7-9-12(11)16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide?
N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-hydroxycyclohexyl)-methylamino]acetamide is sourced from PubChem (CID 115577152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).