(4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate

C14H25NO2 — CID 81160953

IUPAC(4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC1CCC(OC(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-3-5-12(6-4-11)17-13(16)9-14(10-15)7-2-8-14/h11-12H,2-10,15H2,1H3
InChIKeyGBJBMDAEEWMDCY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.63
Rot. Bonds4

About (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate

(4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81160953) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81160953
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC1CCC(OC(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-3-5-12(6-4-11)17-13(16)9-14(10-15)7-2-8-14/h11-12H,2-10,15H2,1H3
InChIKeyGBJBMDAEEWMDCY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81160953) is (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate is CC1CCC(OC(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is GBJBMDAEEWMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-3-5-12(6-4-11)17-13(16)9-14(10-15)7-2-8-14/h11-12H,2-10,15H2,1H3.
What are the key properties of (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate?
(4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 239.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81160953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).