1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol

C12H22N2OS — CID 106147667

IUPAC1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCCc1cccs1
InChIInChI=1S/C12H22N2OS/c1-12(15,10-14(2)3)9-13-7-6-11-5-4-8-16-11/h4-5,8,13,15H,6-7,9-10H2,1-3H3
InChIKeyZNDIHHRYVJOCHE-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.19
Rot. Bonds7

About 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol (PubChem CID 106147667) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol
PubChem CID106147667
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCCc1cccs1
InChIInChI=1S/C12H22N2OS/c1-12(15,10-14(2)3)9-13-7-6-11-5-4-8-16-11/h4-5,8,13,15H,6-7,9-10H2,1-3H3
InChIKeyZNDIHHRYVJOCHE-UHFFFAOYSA-N
XLogP1.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)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

2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
methyl 2,2-dimethyl-3-(2-thiophen-2-ylethylamino)propanoate
CID 79629616
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol (CID 106147667) is 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol is CN(C)CC(C)(O)CNCCc1cccs1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol?
The InChIKey is ZNDIHHRYVJOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(15,10-14(2)3)9-13-7-6-11-5-4-8-16-11/h4-5,8,13,15H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 106147667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).