ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate

C15H27NO3 — CID 106498940

IUPACethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O)(CNC2CCCC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-19-14(17)12-7-9-15(18,10-8-12)11-16-13-5-3-4-6-13/h12-13,16,18H,2-11H2,1H3
InChIKeyQLALUXVIYVUXQI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds5

About ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate

ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate (PubChem CID 106498940) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
PubChem CID106498940
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O)(CNC2CCCC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-19-14(17)12-7-9-15(18,10-8-12)11-16-13-5-3-4-6-13/h12-13,16,18H,2-11H2,1H3
InChIKeyQLALUXVIYVUXQI-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499837
ethyl 4-hydroxy-4-[(piperidin-1-ylamino)methyl]cyclohexane-1-carboxylate
CID 106499676
ethyl 4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylate
CID 106498918
ethyl 4-hydroxy-4-[(prop-2-enylamino)methyl]cyclohexane-1-carboxylate
CID 106498924
ethyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499098
ethyl 4-hydroxy-4-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]cyclohexane-1-carboxylate
CID 106499144
ethyl 4-hydroxy-4-[(3-methylbut-2-enylamino)methyl]cyclohexane-1-carboxylate
CID 106190532
ethyl 4-hydroxy-4-[(6-hydroxyhexylamino)methyl]cyclohexane-1-carboxylate
CID 107853714
ethyl 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499888
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
CID 60710956
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate (CID 106498940) is ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1CCC(O)(CNC2CCCC2)CC1.
What is the InChIKey of ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate?
The InChIKey is QLALUXVIYVUXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-19-14(17)12-7-9-15(18,10-8-12)11-16-13-5-3-4-6-13/h12-13,16,18H,2-11H2,1H3.
What are the key properties of ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate?
ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 106498940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).