cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate

C14H25NO2 — CID 79525664

IUPACcyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1CCC(C(=O)OCC2CCCC2)CC1
InChIInChI=1S/C14H25NO2/c15-9-11-5-7-13(8-6-11)14(16)17-10-12-3-1-2-4-12/h11-13H,1-10,15H2
InChIKeyXVUQAYRHLMCRSZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.48
Rot. Bonds4

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

cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 79525664) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID79525664
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namecyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1CCC(C(=O)OCC2CCCC2)CC1
InChIInChI=1S/C14H25NO2/c15-9-11-5-7-13(8-6-11)14(16)17-10-12-3-1-2-4-12/h11-13H,1-10,15H2
InChIKeyXVUQAYRHLMCRSZ-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl cyclopropanecarboxylate
CID 534303
cyclopentyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525375
propyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79524646
prop-2-enyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 69033800
(4-bromophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 82824431
[4-(prop-2-ynoxymethyl)cyclohexyl]methyl cyclopropanecarboxylate
CID 54181811
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
carbonic acid;cyclohexylmethanamine
CID 67545146
carbonyl dichloride;cyclopentylmethanamine
CID 175500513
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23200994

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate (CID 79525664) is cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate is NCC1CCC(C(=O)OCC2CCCC2)CC1.
What is the InChIKey of cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is XVUQAYRHLMCRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-9-11-5-7-13(8-6-11)14(16)17-10-12-3-1-2-4-12/h11-13H,1-10,15H2.
What are the key properties of cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79525664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).