4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid

C14H27NO2 — CID 63066878

IUPAC4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC)C1CC(CC)CCC1C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-9-15(6-3)13-10-11(5-2)7-8-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyAXJVAOBCCFPTEF-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds6

About 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63066878) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63066878
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC)C1CC(CC)CCC1C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-9-15(6-3)13-10-11(5-2)7-8-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyAXJVAOBCCFPTEF-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(ethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 63068416
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 55146906
2-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 55228468
4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067435
2-[(3-ethylcyclopentyl)-propylamino]acetic acid
CID 65064749
2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 55147863
2-[cyclopropyl(3-methylbutyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 78924057
4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068320
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid (CID 63066878) is 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid is CCCN(CC)C1CC(CC)CCC1C(=O)O.
What is the InChIKey of 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AXJVAOBCCFPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-15(6-3)13-10-11(5-2)7-8-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63066878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).