2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol

C11H20N2OS — CID 106435161

IUPAC2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
SMILESCN(C)CCCNCC(O)c1ccsc1
InChIInChI=1S/C11H20N2OS/c1-13(2)6-3-5-12-8-11(14)10-4-7-15-9-10/h4,7,9,11-12,14H,3,5-6,8H2,1-2H3
InChIKeyKLMKLRYRIOSEPI-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.32
Rot. Bonds7

About 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol

2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol (PubChem CID 106435161) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
PubChem CID106435161
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
SMILESCN(C)CCCNCC(O)c1ccsc1
InChIInChI=1S/C11H20N2OS/c1-13(2)6-3-5-12-8-11(14)10-4-7-15-9-10/h4,7,9,11-12,14H,3,5-6,8H2,1-2H3
InChIKeyKLMKLRYRIOSEPI-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
CID 106434713

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol (CID 106435161) is 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol is CN(C)CCCNCC(O)c1ccsc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol?
The InChIKey is KLMKLRYRIOSEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-13(2)6-3-5-12-8-11(14)10-4-7-15-9-10/h4,7,9,11-12,14H,3,5-6,8H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol?
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol has a molecular weight of 228.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).