4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol

C11H20N2OS — CID 106143896

IUPAC4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1sccc1N
InChIInChI=1S/C11H20N2OS/c1-11(2,4-5-14)8-13-7-10-9(12)3-6-15-10/h3,6,13-14H,4-5,7-8,12H2,1-2H3
InChIKeyBVDZBOIZSJPRAL-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.83
Rot. Bonds6

About 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol

4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol (PubChem CID 106143896) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
PubChem CID106143896
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1sccc1N
InChIInChI=1S/C11H20N2OS/c1-11(2,4-5-14)8-13-7-10-9(12)3-6-15-10/h3,6,13-14H,4-5,7-8,12H2,1-2H3
InChIKeyBVDZBOIZSJPRAL-UHFFFAOYSA-N
XLogP1.83
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-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

3-[(3-Aminothiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105643874
3-[(3-Aminothiophen-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644526
3-[(3-Aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173044
3,3-Dimethyl-2-(thiophen-2-ylmethylamino)butan-1-ol
CID 61325387
3-Methyl-4-(1-thiophen-2-ylethylamino)butan-1-ol
CID 66089233
3-Methyl-4-(thiophen-2-ylmethylamino)butan-1-ol
CID 66092260
2-[(5-Methylhexan-2-ylamino)methyl]thiophen-3-amine
CID 66384902
2-[[3-(Cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine
CID 66384909
2-[(3-Aminothiophen-2-yl)methylamino]-4-methylpentan-1-ol
CID 66384979
N-[2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 66384980
[1-[(3-Aminothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 66384992
1-[(3-Aminothiophen-2-yl)methylamino]-3-methoxypropan-2-ol
CID 66385001

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol (CID 106143896) is 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCc1sccc1N.
What is the InChIKey of 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is BVDZBOIZSJPRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(2,4-5-14)8-13-7-10-9(12)3-6-15-10/h3,6,13-14H,4-5,7-8,12H2,1-2H3.
What are the key properties of 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol?
4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106143896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).