3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

C15H28N2O2 — CID 79650504

IUPAC3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(C)C2CCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-16-15(14(18)19)10-9-13(11-15)17(2)12-7-5-4-6-8-12/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyWFZJBOAFPKDFBD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.24
Rot. Bonds5

About 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid

3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 79650504) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID79650504
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(C)C2CCCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-16-15(14(18)19)10-9-13(11-15)17(2)12-7-5-4-6-8-12/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyWFZJBOAFPKDFBD-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
CID 79647444
3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
[3-[cycloheptyl(methyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79655884
3-[cyclopentyl(ethyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79636768
1-(ethylamino)-3-[ethyl(propyl)amino]cyclopentane-1-carboxylic acid
CID 79654741
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654994
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
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 79650504) is 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N(C)C2CCCCC2)C1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WFZJBOAFPKDFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-15(14(18)19)10-9-13(11-15)17(2)12-7-5-4-6-8-12/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).