1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol

C13H24N2OS — CID 79476363

IUPAC1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CN(C)CCc1cccs1
InChIInChI=1S/C13H24N2OS/c1-11(2)14-9-12(16)10-15(3)7-6-13-5-4-8-17-13/h4-5,8,11-12,14,16H,6-7,9-10H2,1-3H3
InChIKeyRZSCMIILPXZMDX-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.58
Rot. Bonds8

About 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol

1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 79476363) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
PubChem CID79476363
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CN(C)CCc1cccs1
InChIInChI=1S/C13H24N2OS/c1-11(2)14-9-12(16)10-15(3)7-6-13-5-4-8-17-13/h4-5,8,11-12,14,16H,6-7,9-10H2,1-3H3
InChIKeyRZSCMIILPXZMDX-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
1-(dimethylamino)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291858
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol (CID 79476363) is 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CN(C)CCc1cccs1.
What is the InChIKey of 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is RZSCMIILPXZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(2)14-9-12(16)10-15(3)7-6-13-5-4-8-17-13/h4-5,8,11-12,14,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 79476363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).