1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid

C14H25NO3 — CID 120539722

IUPAC1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCCC(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-6-9-12(16)15(2)14(13(17)18)10-7-5-8-11-14/h3-11H2,1-2H3,(H,17,18)
InChIKeyKTJGYMVLPAJSHY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds6

About 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid

1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120539722) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120539722
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCCC(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-6-9-12(16)15(2)14(13(17)18)10-7-5-8-11-14/h3-11H2,1-2H3,(H,17,18)
InChIKeyKTJGYMVLPAJSHY-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[methyl-(2-propylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539931
1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539963
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 114991397
1-[(2-tert-butylsulfanylacetyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539611
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540216
1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528

Frequently Asked Questions

What is the IUPAC name of 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 120539722) is 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid is CCCCCC(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KTJGYMVLPAJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-6-9-12(16)15(2)14(13(17)18)10-7-5-8-11-14/h3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).