cyclohexanecarboxylic acid;N-ethylethanamine

C11H23NO2 — CID 175970280

IUPACcyclohexanecarboxylic acid;N-ethylethanamine
SMILESCCNCC.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C4H11N/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h6H,1-5H2,(H,8,9);5H,3-4H2,1-2H3
InChIKeyBDHPRYDOISUSEX-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.27
Rot. Bonds3

About cyclohexanecarboxylic acid;N-ethylethanamine

cyclohexanecarboxylic acid;N-ethylethanamine (PubChem CID 175970280) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;N-ethylethanamine.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;N-ethylethanamine
PubChem CID175970280
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namecyclohexanecarboxylic acid;N-ethylethanamine
SMILESCCNCC.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C4H11N/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h6H,1-5H2,(H,8,9);5H,3-4H2,1-2H3
InChIKeyBDHPRYDOISUSEX-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclopentanecarboxylic acid;propanal
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chloromethane;cyclohexanecarboxylic acid
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cyclohexanecarboxylic acid;octahydrate
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cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
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CID 173230713

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;N-ethylethanamine?
The IUPAC name of cyclohexanecarboxylic acid;N-ethylethanamine (CID 175970280) is cyclohexanecarboxylic acid;N-ethylethanamine.
What is the SMILES notation for cyclohexanecarboxylic acid;N-ethylethanamine?
The canonical SMILES for cyclohexanecarboxylic acid;N-ethylethanamine is CCNCC.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;N-ethylethanamine?
The InChIKey is BDHPRYDOISUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H11N/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2/h6H,1-5H2,(H,8,9);5H,3-4H2,1-2H3.
What are the key properties of cyclohexanecarboxylic acid;N-ethylethanamine?
cyclohexanecarboxylic acid;N-ethylethanamine has a molecular weight of 201.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;N-ethylethanamine is sourced from PubChem (CID 175970280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).