1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol

C13H24N2OS — CID 80526691

IUPAC1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol
SMILESCN(C)CC(O)CNCC(C)(C)c1cccs1
InChIInChI=1S/C13H24N2OS/c1-13(2,12-6-5-7-17-12)10-14-8-11(16)9-15(3)4/h5-7,11,14,16H,8-10H2,1-4H3
InChIKeyIOBUQXDZNCSASK-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.54
Rot. Bonds7

About 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol

1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol (PubChem CID 80526691) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol
PubChem CID80526691
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol
SMILESCN(C)CC(O)CNCC(C)(C)c1cccs1
InChIInChI=1S/C13H24N2OS/c1-13(2,12-6-5-7-17-12)10-14-8-11(16)9-15(3)4/h5-7,11,14,16H,8-10H2,1-4H3
InChIKeyIOBUQXDZNCSASK-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526374
1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526598
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
3-amino-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115241897
4-[1-hydroxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 80526804
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193
N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 80526828

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol (CID 80526691) is 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol is CN(C)CC(O)CNCC(C)(C)c1cccs1.
What is the InChIKey of 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol?
The InChIKey is IOBUQXDZNCSASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-13(2,12-6-5-7-17-12)10-14-8-11(16)9-15(3)4/h5-7,11,14,16H,8-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol?
1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]propan-2-ol is sourced from PubChem (CID 80526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).