1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid

C14H25F3N2O2 — CID 79626795

IUPAC1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C1CCCC(NCC)(C(=O)O)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-8-19(10-14(15,16)17)11-6-5-7-13(9-11,12(20)21)18-4-2/h11,18H,3-10H2,1-2H3,(H,20,21)
InChIKeyXZTQQDVOZXGACR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.64
Rot. Bonds7

About 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid

1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79626795) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79626795
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C1CCCC(NCC)(C(=O)O)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-8-19(10-14(15,16)17)11-6-5-7-13(9-11,12(20)21)18-4-2/h11,18H,3-10H2,1-2H3,(H,20,21)
InChIKeyXZTQQDVOZXGACR-UHFFFAOYSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636451
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380
1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
CID 79641468
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
CID 79634544
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
3-(dipropylamino)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650503
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656540
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 79626795) is 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is CCCN(CC(F)(F)F)C1CCCC(NCC)(C(=O)O)C1.
What is the InChIKey of 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XZTQQDVOZXGACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-8-19(10-14(15,16)17)11-6-5-7-13(9-11,12(20)21)18-4-2/h11,18H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 310.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79626795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).