2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid

C14H27NO3 — CID 55146711

IUPAC2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(C)CCOC)C1
InChIInChI=1S/C14H27NO3/c1-4-5-11-6-7-12(14(16)17)13(10-11)15(2)8-9-18-3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyCJVQBDVAECFBIX-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.23
Rot. Bonds7

About 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid

2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 55146711) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
PubChem CID55146711
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(C)CCOC)C1
InChIInChI=1S/C14H27NO3/c1-4-5-11-6-7-12(14(16)17)13(10-11)15(2)8-9-18-3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyCJVQBDVAECFBIX-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid (CID 55146711) is 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N(C)CCOC)C1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is CJVQBDVAECFBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-11-6-7-12(14(16)17)13(10-11)15(2)8-9-18-3/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).