4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 65055017

IUPAC4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)C(NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H27NO2/c1-10-3-4-11(2)14(9-10)16-13-7-5-12(6-8-13)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyUWFDQZDUOSFMHM-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.04
Rot. Bonds3

About 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid

4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65055017) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
PubChem CID65055017
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)C(NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H27NO2/c1-10-3-4-11(2)14(9-10)16-13-7-5-12(6-8-13)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyUWFDQZDUOSFMHM-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 64773705
N-cyclobutyl-2,5-dimethylcyclohexan-1-amine
CID 64761311
4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63997378
2-[4-[(2,5-dimethylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 64761265
4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
CID 173230624
CID 173230624
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 43748782
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid (CID 65055017) is 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(C)C(NC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UWFDQZDUOSFMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10-3-4-11(2)14(9-10)16-13-7-5-12(6-8-13)15(17)18/h10-14,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid?
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65055017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).