1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol

C10H18N2OS — CID 63248312

IUPAC1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-12(2)7-10(13)6-11-5-9-3-4-14-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3
InChIKeyBFXKGUIOWOXANX-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.76
Rot. Bonds6

About 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol

1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol (PubChem CID 63248312) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
PubChem CID63248312
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-12(2)7-10(13)6-11-5-9-3-4-14-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3
InChIKeyBFXKGUIOWOXANX-UHFFFAOYSA-N
XLogP0.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111579179
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
CID 111118599
1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584787
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol (CID 63248312) is 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol is CN(C)CC(O)CNCc1ccsc1.
What is the InChIKey of 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
The InChIKey is BFXKGUIOWOXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(2)7-10(13)6-11-5-9-3-4-14-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol?
1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63248312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).