cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate

C13H23NO2 — CID 62217419

IUPACcyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate
SMILESNCC1(CC(=O)OC2CCC2)CCCCC1
InChIInChI=1S/C13H23NO2/c14-10-13(7-2-1-3-8-13)9-12(15)16-11-5-4-6-11/h11H,1-10,14H2
InChIKeyVRARRNWZNYUDCA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.38
Rot. Bonds4

About cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate

cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate (PubChem CID 62217419) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate.

Molecular Properties

Compound Namecyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate
PubChem CID62217419
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate
SMILESNCC1(CC(=O)OC2CCC2)CCCCC1
InChIInChI=1S/C13H23NO2/c14-10-13(7-2-1-3-8-13)9-12(15)16-11-5-4-6-11/h11H,1-10,14H2
InChIKeyVRARRNWZNYUDCA-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate?
The IUPAC name of cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate (CID 62217419) is cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate.
What is the SMILES notation for cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate?
The canonical SMILES for cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate is NCC1(CC(=O)OC2CCC2)CCCCC1.
What is the InChIKey of cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate?
The InChIKey is VRARRNWZNYUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-10-13(7-2-1-3-8-13)9-12(15)16-11-5-4-6-11/h11H,1-10,14H2.
What are the key properties of cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate?
cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate has a molecular weight of 225.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate is sourced from PubChem (CID 62217419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).