1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C14H27NO3 — CID 62271215

IUPAC1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC1(C(=O)O)CCCCC1)C(C)COC
InChIInChI=1S/C14H27NO3/c1-4-15(12(2)10-18-3)11-14(13(16)17)8-6-5-7-9-14/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyYJSPIJQZEXYYNR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds7

About 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62271215) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID62271215
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC1(C(=O)O)CCCCC1)C(C)COC
InChIInChI=1S/C14H27NO3/c1-4-15(12(2)10-18-3)11-14(13(16)17)8-6-5-7-9-14/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyYJSPIJQZEXYYNR-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
N-ethyl-1-methoxy-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62255890
1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
N-ethyl-1-methoxy-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 170601924
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432964
1-cyclopentyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanone
CID 104750248

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 62271215) is 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is CCN(CC1(C(=O)O)CCCCC1)C(C)COC.
What is the InChIKey of 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YJSPIJQZEXYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-15(12(2)10-18-3)11-14(13(16)17)8-6-5-7-9-14/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62271215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).