1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid

C13H25NO4 — CID 79637650

IUPAC1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OC(C)COC)C1
InChIInChI=1S/C13H25NO4/c1-4-14-13(12(15)16)7-5-6-11(8-13)18-10(2)9-17-3/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyPZZXGPLIYWSGHU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.41
Rot. Bonds7

About 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid

1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid (PubChem CID 79637650) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
PubChem CID79637650
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OC(C)COC)C1
InChIInChI=1S/C13H25NO4/c1-4-14-13(12(15)16)7-5-6-11(8-13)18-10(2)9-17-3/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyPZZXGPLIYWSGHU-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637616
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
methyl 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 103489804
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 103489882
1-amino-3-(1-ethoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103489823
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylic acid
CID 81074828
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79637079

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid (CID 79637650) is 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(OC(C)COC)C1.
What is the InChIKey of 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
The InChIKey is PZZXGPLIYWSGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-14-13(12(15)16)7-5-6-11(8-13)18-10(2)9-17-3/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid?
1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).