4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

C18H27NO2 — CID 69053956

IUPAC4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCCNCC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21
InChIInChI=1S/C18H27NO2/c1-5-19-10-14-9-18(7-6-8-18)21-17-12(3)11(2)16(20)13(4)15(14)17/h14,19-20H,5-10H2,1-4H3
InChIKeyCFNYVSHQVGSBEX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.72
Rot. Bonds3

About 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (PubChem CID 69053956) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
PubChem CID69053956
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCCNCC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21
InChIInChI=1S/C18H27NO2/c1-5-19-10-14-9-18(7-6-8-18)21-17-12(3)11(2)16(20)13(4)15(14)17/h14,19-20H,5-10H2,1-4H3
InChIKeyCFNYVSHQVGSBEX-UHFFFAOYSA-N
XLogP3.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The IUPAC name of 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (CID 69053956) is 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.
What is the SMILES notation for 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The canonical SMILES for 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is CCNCC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21.
What is the InChIKey of 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The InChIKey is CFNYVSHQVGSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-19-10-14-9-18(7-6-8-18)21-17-12(3)11(2)16(20)13(4)15(14)17/h14,19-20H,5-10H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol has a molecular weight of 289.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is sourced from PubChem (CID 69053956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).