3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol

C13H24N2OS — CID 65332852

IUPAC3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
SMILESCC(NCC(c1cccs1)N(C)C)C(C)(C)O
InChIInChI=1S/C13H24N2OS/c1-10(13(2,3)16)14-9-11(15(4)5)12-7-6-8-17-12/h6-8,10-11,14,16H,9H2,1-5H3
InChIKeyYMLRPQWBDIDHJO-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.10
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol

3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol (PubChem CID 65332852) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
PubChem CID65332852
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
SMILESCC(NCC(c1cccs1)N(C)C)C(C)(C)O
InChIInChI=1S/C13H24N2OS/c1-10(13(2,3)16)14-9-11(15(4)5)12-7-6-8-17-12/h6-8,10-11,14,16H,9H2,1-5H3
InChIKeyYMLRPQWBDIDHJO-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116534134
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43106519
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-2-ol
CID 116911292
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 104652184
2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol
CID 43109781
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol (CID 65332852) is 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol is CC(NCC(c1cccs1)N(C)C)C(C)(C)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol?
The InChIKey is YMLRPQWBDIDHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(13(2,3)16)14-9-11(15(4)5)12-7-6-8-17-12/h6-8,10-11,14,16H,9H2,1-5H3.
What are the key properties of 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol?
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).