3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid

C16H29NO3 — CID 79637128

IUPAC3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(OC2CCCC(NC)(C(=O)O)C2)C1
InChIInChI=1S/C16H29NO3/c1-3-12-6-4-7-13(10-12)20-14-8-5-9-16(11-14,17-2)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyHAXCNQZYNPOVKF-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid

3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 79637128) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID79637128
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(OC2CCCC(NC)(C(=O)O)C2)C1
InChIInChI=1S/C16H29NO3/c1-3-12-6-4-7-13(10-12)20-14-8-5-9-16(11-14,17-2)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyHAXCNQZYNPOVKF-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637509
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637762
3-(3-methylcyclohexyl)oxy-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79634611
1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid (CID 79637128) is 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid is CCC1CCCC(OC2CCCC(NC)(C(=O)O)C2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HAXCNQZYNPOVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-12-6-4-7-13(10-12)20-14-8-5-9-16(11-14,17-2)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid?
3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).