1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid

C13H25NO3 — CID 79637616

IUPAC1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-5-14-13(11(15)16)8-6-7-10(9-13)17-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyHDEZYKXRAJMDMB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.18
Rot. Bonds4

About 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid

1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid (PubChem CID 79637616) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
PubChem CID79637616
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-5-14-13(11(15)16)8-6-7-10(9-13)17-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyHDEZYKXRAJMDMB-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637762
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 79648508
1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 79637650
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid (CID 79637616) is 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(OC(C)(C)C)C1.
What is the InChIKey of 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid?
The InChIKey is HDEZYKXRAJMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-14-13(11(15)16)8-6-7-10(9-13)17-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid?
1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).