cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate

C13H23NO2 — CID 79525375

IUPACcyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1CCC(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c14-9-10-5-7-11(8-6-10)13(15)16-12-3-1-2-4-12/h10-12H,1-9,14H2
InChIKeyQOFXQNDBBBWGMU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.24
Rot. Bonds3

About cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate

cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 79525375) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID79525375
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1CCC(C(=O)OC2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c14-9-10-5-7-11(8-6-10)13(15)16-12-3-1-2-4-12/h10-12H,1-9,14H2
InChIKeyQOFXQNDBBBWGMU-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
cyclooctyl cyclooctanecarboxylate
CID 57160377
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
cyclopropyl cyclopropanecarboxylate
CID 54407874
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclobutyl 3-aminocyclopentane-1-carboxylate
CID 66031804
carbonyl dichloride;cyclopentylmethanamine
CID 175500513
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
propyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79524646

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate (CID 79525375) is cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate is NCC1CCC(C(=O)OC2CCCC2)CC1.
What is the InChIKey of cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is QOFXQNDBBBWGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-9-10-5-7-11(8-6-10)13(15)16-12-3-1-2-4-12/h10-12H,1-9,14H2.
What are the key properties of cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate?
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79525375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).