2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol

C15H26N2OS — CID 102860245

IUPAC2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
SMILESCCC(N)C(c1sccc1C)N(CCO)C1CCC1
InChIInChI=1S/C15H26N2OS/c1-3-13(16)14(15-11(2)7-10-19-15)17(8-9-18)12-5-4-6-12/h7,10,12-14,18H,3-6,8-9,16H2,1-2H3
InChIKeyHXJFQRLSFVRMOK-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.68
Rot. Bonds7

About 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol

2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol (PubChem CID 102860245) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
PubChem CID102860245
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
SMILESCCC(N)C(c1sccc1C)N(CCO)C1CCC1
InChIInChI=1S/C15H26N2OS/c1-3-13(16)14(15-11(2)7-10-19-15)17(8-9-18)12-5-4-6-12/h7,10,12-14,18H,3-6,8-9,16H2,1-2H3
InChIKeyHXJFQRLSFVRMOK-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol (CID 102860245) is 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol is CCC(N)C(c1sccc1C)N(CCO)C1CCC1.
What is the InChIKey of 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol?
The InChIKey is HXJFQRLSFVRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-13(16)14(15-11(2)7-10-19-15)17(8-9-18)12-5-4-6-12/h7,10,12-14,18H,3-6,8-9,16H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol?
2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol has a molecular weight of 282.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102860245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).