4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid

C14H25NO2 — CID 115149137

IUPAC4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCC2CCCC2)CC1
InChIInChI=1S/C14H25NO2/c16-14(17)12-5-7-13(8-6-12)15-10-9-11-3-1-2-4-11/h11-13,15H,1-10H2,(H,16,17)
InChIKeyAOBQAXMYBVMTAG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.80
Rot. Bonds5

About 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid

4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid (PubChem CID 115149137) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
PubChem CID115149137
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCC2CCCC2)CC1
InChIInChI=1S/C14H25NO2/c16-14(17)12-5-7-13(8-6-12)15-10-9-11-3-1-2-4-11/h11-13,15H,1-10H2,(H,16,17)
InChIKeyAOBQAXMYBVMTAG-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149138
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-(2-cyclobutylethylamino)cyclohexan-1-ol
CID 106595151
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 115149167
4-(2-cyclohexylethylamino)piperidine-1-carboxamide
CID 54931641
4-propylcyclononane-1-carboxylic acid
CID 123911377
4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 61070332

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid (CID 115149137) is 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCC2CCCC2)CC1.
What is the InChIKey of 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is AOBQAXMYBVMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-14(17)12-5-7-13(8-6-12)15-10-9-11-3-1-2-4-11/h11-13,15H,1-10H2,(H,16,17).
What are the key properties of 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid?
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).