1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol

C15H28N2OS — CID 79384397

IUPAC1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCC(N)C(c1sccc1C)N(CC)CC(C)(C)O
InChIInChI=1S/C15H28N2OS/c1-6-12(16)13(14-11(3)8-9-19-14)17(7-2)10-15(4,5)18/h8-9,12-13,18H,6-7,10,16H2,1-5H3
InChIKeyBOXYLAFXMWOXAG-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.93
Rot. Bonds7

About 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79384397) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79384397
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCC(N)C(c1sccc1C)N(CC)CC(C)(C)O
InChIInChI=1S/C15H28N2OS/c1-6-12(16)13(14-11(3)8-9-19-14)17(7-2)10-15(4,5)18/h8-9,12-13,18H,6-7,10,16H2,1-5H3
InChIKeyBOXYLAFXMWOXAG-UHFFFAOYSA-N
XLogP2.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
1-N-[3-(dimethylamino)propyl]-1-N-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 63693028
2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
CID 102860245
1-N-cyclopropyl-1-N-(3-methylbutyl)-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 78974725
3-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
CID 102859881
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
1-(3-methylthiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65038614
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
3-[2-amino-1-(3-methylthiophen-2-yl)butyl]sulfanylbutan-2-ol
CID 107770577

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol (CID 79384397) is 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol is CCC(N)C(c1sccc1C)N(CC)CC(C)(C)O.
What is the InChIKey of 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is BOXYLAFXMWOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-6-12(16)13(14-11(3)8-9-19-14)17(7-2)10-15(4,5)18/h8-9,12-13,18H,6-7,10,16H2,1-5H3.
What are the key properties of 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 284.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).