2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid

C14H25NO2 — CID 63073672

IUPAC2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C1CCCC1C(=O)O
InChIInChI=1S/C14H25NO2/c1-10-6-3-4-8-12(10)15(2)13-9-5-7-11(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyYOYUVSQXJDQUSI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

About 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid

2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 63073672) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
PubChem CID63073672
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C1CCCC1C(=O)O
InChIInChI=1S/C14H25NO2/c1-10-6-3-4-8-12(10)15(2)13-9-5-7-11(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyYOYUVSQXJDQUSI-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid (CID 63073672) is 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid is CC1CCCCC1N(C)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YOYUVSQXJDQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-6-3-4-8-12(10)15(2)13-9-5-7-11(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid?
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63073672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).