3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid

C16H30N2O2 — CID 79636768

IUPAC3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(N(CC)C2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-17-16(15(19)20)11-7-10-14(12-16)18(4-2)13-8-5-6-9-13/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeySLDZEPNZYXTKOU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.63
Rot. Bonds6

About 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid

3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid (PubChem CID 79636768) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
PubChem CID79636768
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(N(CC)C2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-17-16(15(19)20)11-7-10-14(12-16)18(4-2)13-8-5-6-9-13/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeySLDZEPNZYXTKOU-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655731
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
3-[cyclopropyl(2-methylpropyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79626183
3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79655734
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 79626795
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid (CID 79636768) is 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(N(CC)C2CCCC2)C1.
What is the InChIKey of 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SLDZEPNZYXTKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-17-16(15(19)20)11-7-10-14(12-16)18(4-2)13-8-5-6-9-13/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid?
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).