1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid

C14H27NO3 — CID 79638153

IUPAC1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OCCC(C)C)C1
InChIInChI=1S/C14H27NO3/c1-4-15-14(13(16)17)8-5-6-12(10-14)18-9-7-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyCJRPHYJUBBYKKN-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.42
Rot. Bonds7

About 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid

1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid (PubChem CID 79638153) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
PubChem CID79638153
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(OCCC(C)C)C1
InChIInChI=1S/C14H27NO3/c1-4-15-14(13(16)17)8-5-6-12(10-14)18-9-7-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyCJRPHYJUBBYKKN-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate
CID 79637171
1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 79637650
1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637616
3-pentoxy-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637343
1-(methylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637773
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid (CID 79638153) is 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(OCCC(C)C)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid?
The InChIKey is CJRPHYJUBBYKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-15-14(13(16)17)8-5-6-12(10-14)18-9-7-11(2)3/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid?
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79638153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).