2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide

C13H26N2O3 — CID 113468096

IUPAC2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
SMILESCOCCN(CCO)C(=O)C1CC(C)CCC1N
InChIInChI=1S/C13H26N2O3/c1-10-3-4-12(14)11(9-10)13(17)15(5-7-16)6-8-18-2/h10-12,16H,3-9,14H2,1-2H3
InChIKeyXZDRHEPUBVOGIG-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.22
Rot. Bonds6

About 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide

2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide (PubChem CID 113468096) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
PubChem CID113468096
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
SMILESCOCCN(CCO)C(=O)C1CC(C)CCC1N
InChIInChI=1S/C13H26N2O3/c1-10-3-4-12(14)11(9-10)13(17)15(5-7-16)6-8-18-2/h10-12,16H,3-9,14H2,1-2H3
InChIKeyXZDRHEPUBVOGIG-UHFFFAOYSA-N
XLogP0.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-5-methylcyclohexane-1-carboxamide
CID 65453971
2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 65453779
2-amino-N-ethyl-5-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 65453771
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
N-(2-aminoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide
CID 107184722
2-amino-N-cyclopentyl-N-ethyl-5-methylcyclohexane-1-carboxamide
CID 65455288
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467723
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706594
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55117060
(3R)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 104861614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide (CID 113468096) is 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide is COCCN(CCO)C(=O)C1CC(C)CCC1N.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide?
The InChIKey is XZDRHEPUBVOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10-3-4-12(14)11(9-10)13(17)15(5-7-16)6-8-18-2/h10-12,16H,3-9,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide?
2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113468096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).