2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine

C11H19NS — CID 81398287

IUPAC2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
SMILESC[C@H](NCC(C)(C)C)c1cccs1
InChIInChI=1S/C11H19NS/c1-9(10-6-5-7-13-10)12-8-11(2,3)4/h5-7,9,12H,8H2,1-4H3/t9-/m0/s1
InChIKeyQIYGEDQSJKYTLA-VIFPVBQESA-N
MW197.35 g/mol
LogP3.44
Rot. Bonds3

About 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine

2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 81398287) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID81398287
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
SMILESC[C@H](NCC(C)(C)C)c1cccs1
InChIInChI=1S/C11H19NS/c1-9(10-6-5-7-13-10)12-8-11(2,3)4/h5-7,9,12H,8H2,1-4H3/t9-/m0/s1
InChIKeyQIYGEDQSJKYTLA-VIFPVBQESA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 104536070
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 104893383
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
CID 115721127
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine (CID 81398287) is 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine is C[C@H](NCC(C)(C)C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is QIYGEDQSJKYTLA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NS/c1-9(10-6-5-7-13-10)12-8-11(2,3)4/h5-7,9,12H,8H2,1-4H3/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81398287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).