2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol

C12H21NOS — CID 65107804

IUPAC2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
SMILESCCC(NCC(C)(O)CC)c1cccs1
InChIInChI=1S/C12H21NOS/c1-4-10(11-7-6-8-15-11)13-9-12(3,14)5-2/h6-8,10,13-14H,4-5,9H2,1-3H3
InChIKeyACBSRHANIWDOGI-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.95
Rot. Bonds6

About 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol

2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol (PubChem CID 65107804) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
PubChem CID65107804
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
SMILESCCC(NCC(C)(O)CC)c1cccs1
InChIInChI=1S/C12H21NOS/c1-4-10(11-7-6-8-15-11)13-9-12(3,14)5-2/h6-8,10,13-14H,4-5,9H2,1-3H3
InChIKeyACBSRHANIWDOGI-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-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

2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 54886658
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide
CID 55256177
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418518
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
CID 79167926
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol (CID 65107804) is 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol is CCC(NCC(C)(O)CC)c1cccs1.
What is the InChIKey of 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol?
The InChIKey is ACBSRHANIWDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10(11-7-6-8-15-11)13-9-12(3,14)5-2/h6-8,10,13-14H,4-5,9H2,1-3H3.
What are the key properties of 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol?
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol is sourced from PubChem (CID 65107804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).