1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol

C12H22N2OS — CID 79384371

IUPAC1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1ccsc1C(CN)N(C)CC(C)(C)O
InChIInChI=1S/C12H22N2OS/c1-9-5-6-16-11(9)10(7-13)14(4)8-12(2,3)15/h5-6,10,15H,7-8,13H2,1-4H3
InChIKeyLNGQFFQJHKZFGV-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.76
Rot. Bonds5

About 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79384371) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79384371
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1ccsc1C(CN)N(C)CC(C)(C)O
InChIInChI=1S/C12H22N2OS/c1-9-5-6-16-11(9)10(7-13)14(4)8-12(2,3)15/h5-6,10,15H,7-8,13H2,1-4H3
InChIKeyLNGQFFQJHKZFGV-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
N-(cyclobutylmethyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62861633
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
N-(3,5-dimethylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62003890
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 79304465
1-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-ethylamino]-2-methylpropan-2-ol
CID 79384397
N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43613882
3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
CID 116911789
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
N,N,3,3-tetramethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 170129481
N-butan-2-yl-N-butyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 54940568

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol (CID 79384371) is 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol is Cc1ccsc1C(CN)N(C)CC(C)(C)O.
What is the InChIKey of 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is LNGQFFQJHKZFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-5-6-16-11(9)10(7-13)14(4)8-12(2,3)15/h5-6,10,15H,7-8,13H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 1.76, 5 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)ethyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).